NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
640447 |
6e98   |
30504 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6e98
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1282
_Distance_constraint_stats_list.Viol_count 2609
_Distance_constraint_stats_list.Viol_total 4508.465
_Distance_constraint_stats_list.Viol_max 0.853
_Distance_constraint_stats_list.Viol_rms 0.0404
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0864
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 2.502 0.317 7 0 "[ . 1 . 2]"
1 3 TRP 1.824 0.208 17 0 "[ . 1 . 2]"
1 4 GLY 2.711 0.853 11 3 "[ . * 1+ .- 2]"
1 5 GLN 6.586 0.535 1 1 "[+ . 1 . 2]"
1 6 CYS 0.510 0.065 12 0 "[ . 1 . 2]"
1 7 SER 2.757 0.365 20 0 "[ . 1 . 2]"
1 8 THR 0.623 0.086 3 0 "[ . 1 . 2]"
1 9 GLY 0.649 0.071 17 0 "[ . 1 . 2]"
1 10 SER 0.727 0.257 2 0 "[ . 1 . 2]"
1 11 ILE 10.116 0.853 11 3 "[ . * 1+ .- 2]"
1 12 GLN 10.891 0.260 1 0 "[ . 1 . 2]"
1 13 CYS 0.017 0.017 18 0 "[ . 1 . 2]"
1 14 CYS 1.869 0.130 4 0 "[ . 1 . 2]"
1 15 GLN 13.049 0.541 10 1 "[ . + . 2]"
1 16 ASN 1.527 0.155 8 0 "[ . 1 . 2]"
1 17 VAL 1.378 0.088 4 0 "[ . 1 . 2]"
1 18 VAL 2.604 0.110 5 0 "[ . 1 . 2]"
1 19 PRO 4.711 0.178 15 0 "[ . 1 . 2]"
1 20 GLY 0.821 0.068 1 0 "[ . 1 . 2]"
1 21 ASP 6.651 0.310 20 0 "[ . 1 . 2]"
1 22 SER 8.480 0.178 15 0 "[ . 1 . 2]"
1 23 ASP 10.153 0.367 6 0 "[ . 1 . 2]"
1 24 LEU 9.898 0.367 6 0 "[ . 1 . 2]"
1 25 GLY 0.221 0.046 20 0 "[ . 1 . 2]"
1 26 THR 10.642 0.171 18 0 "[ . 1 . 2]"
1 27 LEU 6.478 0.431 6 0 "[ . 1 . 2]"
1 28 LEU 12.533 0.839 12 6 "[ * .* **+ . -]"
1 29 LEU 8.774 0.152 2 0 "[ . 1 . 2]"
1 30 ASP 9.622 0.349 7 0 "[ . 1 . 2]"
1 31 GLU 18.129 0.604 13 5 "[ * * 1 *+ .- 2]"
1 32 LEU 3.417 0.110 7 0 "[ . 1 . 2]"
1 33 GLY 0.037 0.015 8 0 "[ . 1 . 2]"
1 34 ILE 2.873 0.152 2 0 "[ . 1 . 2]"
1 35 VAL 0.327 0.075 15 0 "[ . 1 . 2]"
1 36 LEU 0.343 0.055 2 0 "[ . 1 . 2]"
1 37 GLU 0.563 0.141 6 0 "[ . 1 . 2]"
1 38 ASP 6.375 0.520 8 2 "[ . + 1 -. 2]"
1 39 PRO 1.566 0.310 20 0 "[ . 1 . 2]"
1 40 THR 3.828 0.231 17 0 "[ . 1 . 2]"
1 41 VAL 4.479 0.520 8 2 "[ . + 1 -. 2]"
1 42 LEU 5.730 0.739 16 2 "[ . - 1 .+ 2]"
1 43 ILE 6.726 0.115 5 0 "[ . 1 . 2]"
1 44 GLY 3.961 0.137 20 0 "[ . 1 . 2]"
1 45 ASP 6.913 0.839 12 6 "[ * .* **+ . -]"
1 46 GLY 10.096 0.541 10 1 "[ . + . 2]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.499 0.099 12 0 "[ . 1 . 2]"
1 49 PRO 0.769 0.179 14 0 "[ . 1 . 2]"
1 50 ILE 10.129 0.451 8 0 "[ . 1 . 2]"
1 51 THR 3.536 0.179 6 0 "[ . 1 . 2]"
1 52 VAL 5.164 0.280 9 0 "[ . 1 . 2]"
1 53 ALA 1.141 0.093 9 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.549 0.047 13 0 "[ . 1 . 2]"
1 57 ASP 2.787 0.332 5 0 "[ . 1 . 2]"
1 58 ALA 1.826 0.206 6 0 "[ . 1 . 2]"
1 59 CYS 1.255 0.206 6 0 "[ . 1 . 2]"
1 60 SER 1.520 0.156 19 0 "[ . 1 . 2]"
1 61 ALA 2.814 0.134 12 0 "[ . 1 . 2]"
1 62 THR 1.394 0.088 4 0 "[ . 1 . 2]"
1 63 ALA 4.532 0.186 18 0 "[ . 1 . 2]"
1 64 VAL 5.893 0.186 18 0 "[ . 1 . 2]"
1 65 CYS 3.311 0.108 7 0 "[ . 1 . 2]"
1 66 CYS 2.788 0.330 2 0 "[ . 1 . 2]"
1 67 SER 2.502 0.179 16 0 "[ . 1 . 2]"
1 68 ASP 3.851 0.381 12 0 "[ . 1 . 2]"
1 69 ASN 0.496 0.251 14 0 "[ . 1 . 2]"
1 70 ASN 3.377 0.233 20 0 "[ . 1 . 2]"
1 71 VAL 3.121 0.235 20 0 "[ . 1 . 2]"
1 72 SER 0.093 0.035 2 0 "[ . 1 . 2]"
1 73 GLY 4.135 0.184 14 0 "[ . 1 . 2]"
1 74 VAL 10.225 0.184 14 0 "[ . 1 . 2]"
1 75 ILE 9.015 0.266 3 0 "[ . 1 . 2]"
1 76 ALA 6.518 0.330 2 0 "[ . 1 . 2]"
1 77 ILE 2.142 0.381 12 0 "[ . 1 . 2]"
1 78 GLY 0.005 0.005 11 0 "[ . 1 . 2]"
1 79 CYS 6.783 0.739 16 2 "[ . - 1 .+ 2]"
1 80 LEU 5.661 0.166 13 0 "[ . 1 . 2]"
1 81 PRO 7.943 0.166 13 0 "[ . 1 . 2]"
1 82 VAL 8.500 0.214 6 0 "[ . 1 . 2]"
1 83 THR 5.610 0.389 16 0 "[ . 1 . 2]"
1 84 LEU 5.563 0.389 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 47 CYS HA 1 47 CYS QB 2.663 . 3.370 2.506 2.494 2.517 . 0 0 "[ . 1 . 2]" 1
2 1 49 PRO HB3 1 49 PRO QG 2.200 . 2.805 2.168 2.155 2.196 . 0 0 "[ . 1 . 2]" 1
3 1 67 SER HA 1 67 SER QB 2.390 . 2.958 2.356 2.302 2.413 . 0 0 "[ . 1 . 2]" 1
4 1 84 LEU QB 1 84 LEU QD 2.469 . 3.231 1.939 1.922 1.956 . 0 0 "[ . 1 . 2]" 1
5 1 57 ASP HA 1 57 ASP QB 2.397 . 3.115 2.360 2.183 2.459 . 0 0 "[ . 1 . 2]" 1
6 1 35 VAL HA 1 35 VAL QG 2.003 . 2.505 2.273 2.128 2.372 . 0 0 "[ . 1 . 2]" 1
7 1 7 SER HA 1 7 SER QB 2.220 . 2.836 2.290 2.178 2.431 . 0 0 "[ . 1 . 2]" 1
8 1 24 LEU HA 1 24 LEU HB3 2.284 . 2.936 2.622 2.393 2.712 . 0 0 "[ . 1 . 2]" 1
9 1 79 CYS HA 1 79 CYS QB 2.451 . 3.202 2.445 2.252 2.515 . 0 0 "[ . 1 . 2]" 1
10 1 64 VAL MG2 1 79 CYS QB 2.518 . 3.311 2.766 2.416 3.029 . 0 0 "[ . 1 . 2]" 1
11 1 46 GLY QA 1 47 CYS H 2.810 . 3.797 2.704 2.638 2.751 . 0 0 "[ . 1 . 2]" 1
12 1 27 LEU HB3 1 27 LEU QD 2.489 . 3.263 2.252 2.047 2.371 . 0 0 "[ . 1 . 2]" 1
13 1 27 LEU HA 1 27 LEU HB3 2.261 . 2.900 2.846 2.228 2.902 0.002 1 0 "[ . 1 . 2]" 1
14 1 35 VAL HB 1 35 VAL QG 2.031 . 2.476 1.894 1.891 1.898 . 0 0 "[ . 1 . 2]" 1
15 1 49 PRO HB2 1 49 PRO QG 2.133 . 2.702 2.215 2.159 2.234 . 0 0 "[ . 1 . 2]" 1
16 1 74 VAL HB 1 74 VAL QG 2.101 . 2.653 1.889 1.883 1.892 . 0 0 "[ . 1 . 2]" 1
17 1 80 LEU HB3 1 80 LEU MD2 1.921 . 2.382 1.976 1.962 1.989 . 0 0 "[ . 1 . 2]" 1
18 1 84 LEU HB2 1 84 LEU QD 2.059 . 2.589 1.793 1.769 1.804 . 0 0 "[ . 1 . 2]" 1
19 1 29 LEU HB3 1 29 LEU MD2 1.853 . 2.282 1.931 1.921 1.937 . 0 0 "[ . 1 . 2]" 1
20 1 80 LEU HB2 1 80 LEU MD1 1.846 . 2.272 1.971 1.960 1.983 . 0 0 "[ . 1 . 2]" 1
21 1 3 TRP H 1 3 TRP HA 2.756 . 3.705 2.421 1.981 2.797 . 0 0 "[ . 1 . 2]" 1
22 1 49 PRO HA 1 49 PRO QG 2.519 . 3.312 3.101 2.954 3.491 0.179 14 0 "[ . 1 . 2]" 1
23 1 59 CYS H 1 59 CYS QB 2.412 . 3.139 2.726 2.391 3.190 0.051 10 0 "[ . 1 . 2]" 1
24 1 7 SER QB 1 8 THR H 3.742 . 5.492 2.698 1.906 3.973 0.086 3 0 "[ . 1 . 2]" 1
25 1 4 GLY H 1 4 GLY QA 2.641 . 3.513 2.305 2.194 2.496 . 0 0 "[ . 1 . 2]" 1
26 1 84 LEU H 1 84 LEU HB2 2.291 . 2.947 2.807 2.674 3.080 0.133 5 0 "[ . 1 . 2]" 1
27 1 79 CYS H 1 79 CYS QB 2.493 . 3.270 2.302 2.178 2.703 . 0 0 "[ . 1 . 2]" 1
28 1 28 LEU HG 1 29 LEU H 2.627 . 3.490 3.422 3.383 3.453 . 0 0 "[ . 1 . 2]" 1
29 1 26 THR HA 1 30 ASP H 2.942 . 4.024 3.249 3.216 3.283 . 0 0 "[ . 1 . 2]" 1
30 1 13 CYS HA 1 14 CYS H 2.100 . 2.651 2.080 2.052 2.125 . 0 0 "[ . 1 . 2]" 1
31 1 79 CYS QB 1 80 LEU H 2.786 . 3.756 3.146 2.859 3.328 . 0 0 "[ . 1 . 2]" 1
32 1 80 LEU H 1 80 LEU HB2 2.451 . 3.202 2.355 2.301 2.418 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLY QA 1 5 GLN H 2.561 . 3.381 2.338 2.093 2.878 . 0 0 "[ . 1 . 2]" 1
34 1 57 ASP QB 1 58 ALA H 2.995 . 4.116 3.821 1.985 4.030 . 0 0 "[ . 1 . 2]" 1
35 1 69 ASN H 1 69 ASN QB 2.635 . 3.503 2.606 2.379 3.026 . 0 0 "[ . 1 . 2]" 1
36 1 63 ALA H 1 63 ALA MB 2.105 . 2.659 2.297 2.283 2.349 . 0 0 "[ . 1 . 2]" 1
37 1 17 VAL MG2 1 44 GLY HA3 2.724 . 3.651 3.528 3.195 3.666 0.015 1 0 "[ . 1 . 2]" 1
38 1 66 CYS HA 1 79 CYS HA 2.116 . 2.676 1.891 1.701 2.059 . 0 0 "[ . 1 . 2]" 1
39 1 3 TRP HB3 1 3 TRP HE3 2.941 . 4.022 3.090 2.376 4.130 0.108 14 0 "[ . 1 . 2]" 1
40 1 3 TRP HB2 1 3 TRP HD1 3.108 . 4.316 3.077 2.592 3.854 . 0 0 "[ . 1 . 2]" 1
41 1 3 TRP HB2 1 3 TRP HE3 2.961 . 4.057 3.549 2.478 4.146 0.089 5 0 "[ . 1 . 2]" 1
42 1 3 TRP HB3 1 3 TRP HD1 3.173 . 4.432 3.410 2.623 3.897 . 0 0 "[ . 1 . 2]" 1
43 1 22 SER HA 1 22 SER HB3 2.389 . 3.103 3.027 3.022 3.031 . 0 0 "[ . 1 . 2]" 1
44 1 12 GLN HB2 1 47 CYS QB 2.638 . 3.508 3.114 2.843 3.271 . 0 0 "[ . 1 . 2]" 1
45 1 47 CYS H 1 47 CYS QB 2.543 . 3.329 2.340 2.299 2.388 . 0 0 "[ . 1 . 2]" 1
46 1 50 ILE MG 1 58 ALA MB 2.335 . 3.016 1.972 1.834 2.109 . 0 0 "[ . 1 . 2]" 1
47 1 50 ILE MD 1 58 ALA MB 2.553 . 3.368 3.063 2.617 3.408 0.040 4 0 "[ . 1 . 2]" 1
48 1 58 ALA HA 1 58 ALA MB 2.015 . 2.523 2.127 2.119 2.134 . 0 0 "[ . 1 . 2]" 1
49 1 58 ALA H 1 58 ALA MB 2.126 . 2.691 2.325 2.224 2.529 . 0 0 "[ . 1 . 2]" 1
50 1 64 VAL MG1 1 81 PRO HB2 3.053 . 4.218 4.269 4.246 4.302 0.084 6 0 "[ . 1 . 2]" 1
51 1 81 PRO HB2 1 82 VAL H 3.020 . 4.160 3.921 3.832 4.004 . 0 0 "[ . 1 . 2]" 1
52 1 29 LEU HA 1 32 LEU HB2 2.831 . 3.833 2.059 2.004 2.108 . 0 0 "[ . 1 . 2]" 1
53 1 75 ILE HB 1 75 ILE HG12 2.795 . 3.771 2.995 2.959 3.010 . 0 0 "[ . 1 . 2]" 1
54 1 75 ILE HA 1 75 ILE HG12 2.937 . 4.015 3.837 3.790 3.917 . 0 0 "[ . 1 . 2]" 1
55 1 66 CYS HB3 1 67 SER H 2.735 . 3.670 3.149 2.579 3.610 . 0 0 "[ . 1 . 2]" 1
56 1 66 CYS HA 1 66 CYS HB3 2.578 . 3.409 2.638 2.385 2.937 . 0 0 "[ . 1 . 2]" 1
57 1 66 CYS H 1 66 CYS HB3 2.994 . 4.115 3.508 3.003 3.691 . 0 0 "[ . 1 . 2]" 1
58 1 14 CYS H 1 14 CYS HB3 2.830 . 3.831 3.592 3.577 3.613 . 0 0 "[ . 1 . 2]" 1
59 1 14 CYS HA 1 14 CYS HB3 2.382 . 3.091 2.536 2.500 2.568 . 0 0 "[ . 1 . 2]" 1
60 1 14 CYS HB3 1 16 ASN H 2.832 . 3.834 2.696 2.444 2.869 . 0 0 "[ . 1 . 2]" 1
61 1 14 CYS HB3 1 45 ASP H 2.867 . 3.894 3.808 3.196 3.932 0.038 12 0 "[ . 1 . 2]" 1
62 1 50 ILE HG12 1 50 ILE MG 2.469 . 3.231 2.349 2.311 2.379 . 0 0 "[ . 1 . 2]" 1
63 1 50 ILE HB 1 50 ILE HG12 2.789 . 3.762 3.027 3.025 3.030 . 0 0 "[ . 1 . 2]" 1
64 1 37 GLU HA 1 37 GLU HG2 3.054 . 4.220 2.981 2.469 3.753 . 0 0 "[ . 1 . 2]" 1
65 1 6 CYS QB 1 11 ILE HG13 3.128 . 4.351 2.169 1.872 2.923 0.065 12 0 "[ . 1 . 2]" 1
66 1 6 CYS QB 1 11 ILE MD 2.878 . 3.729 2.106 1.831 2.514 0.012 13 0 "[ . 1 . 2]" 1
67 1 19 PRO HD2 1 22 SER HB2 2.975 . 4.081 2.181 2.085 2.310 . 0 0 "[ . 1 . 2]" 1
68 1 22 SER HB2 1 24 LEU H 3.096 . 4.294 4.391 4.325 4.456 0.162 18 0 "[ . 1 . 2]" 1
69 1 4 GLY HA2 1 5 GLN H 2.772 . 3.732 2.447 2.117 3.486 . 0 0 "[ . 1 . 2]" 1
70 1 4 GLY H 1 4 GLY HA2 2.732 . 3.665 2.613 2.308 2.954 . 0 0 "[ . 1 . 2]" 1
71 1 26 THR HA 1 29 LEU HG 2.489 . 3.263 2.137 1.984 2.262 . 0 0 "[ . 1 . 2]" 1
72 1 26 THR HA 1 26 THR HB 2.306 . 2.971 3.024 3.020 3.028 0.057 4 0 "[ . 1 . 2]" 1
73 1 26 THR HA 1 27 LEU H 2.977 . 4.085 3.533 3.520 3.548 . 0 0 "[ . 1 . 2]" 1
74 1 26 THR HA 1 29 LEU H 2.649 . 3.526 3.537 3.458 3.579 0.053 3 0 "[ . 1 . 2]" 1
75 1 13 CYS QB 1 50 ILE MG 2.977 . 4.084 3.757 3.623 3.855 . 0 0 "[ . 1 . 2]" 1
76 1 13 CYS QB 1 50 ILE HG12 2.860 . 3.882 2.338 2.199 2.589 . 0 0 "[ . 1 . 2]" 1
77 1 13 CYS QB 1 50 ILE HG13 2.950 . 4.038 3.081 2.874 3.262 . 0 0 "[ . 1 . 2]" 1
78 1 13 CYS H 1 13 CYS QB 2.674 . 3.263 2.405 2.329 2.483 . 0 0 "[ . 1 . 2]" 1
79 1 81 PRO HB2 1 81 PRO HG2 2.063 . 2.595 2.304 2.295 2.315 . 0 0 "[ . 1 . 2]" 1
80 1 81 PRO HD2 1 81 PRO HG2 2.357 . 3.052 2.325 2.319 2.330 . 0 0 "[ . 1 . 2]" 1
81 1 81 PRO HB3 1 81 PRO HG2 2.086 . 2.630 2.683 2.671 2.694 0.064 1 0 "[ . 1 . 2]" 1
82 1 49 PRO QD 1 49 PRO HG3 2.457 . 3.212 2.211 2.173 2.222 . 0 0 "[ . 1 . 2]" 1
83 1 31 GLU HB3 1 31 GLU HG2 2.199 . 2.803 2.610 2.389 3.004 0.201 8 0 "[ . 1 . 2]" 1
84 1 31 GLU HA 1 31 GLU HG2 2.916 . 3.979 2.823 2.341 3.908 . 0 0 "[ . 1 . 2]" 1
85 1 31 GLU H 1 31 GLU HG2 3.554 2.388 4.720 4.139 2.868 4.528 . 0 0 "[ . 1 . 2]" 1
86 1 81 PRO HB3 1 81 PRO HD2 2.919 . 3.984 3.890 3.882 3.896 . 0 0 "[ . 1 . 2]" 1
87 1 49 PRO HB3 1 49 PRO QD 2.874 . 3.901 3.499 3.124 3.535 . 0 0 "[ . 1 . 2]" 1
88 1 81 PRO HB3 1 82 VAL H 2.763 . 3.717 3.719 3.571 3.783 0.066 10 0 "[ . 1 . 2]" 1
89 1 49 PRO HB3 1 50 ILE H 3.110 . 4.319 3.761 3.517 4.005 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLN QE 1 49 PRO HB3 3.079 . 4.264 3.279 2.865 3.930 . 0 0 "[ . 1 . 2]" 1
91 1 32 LEU HB2 1 34 ILE QG 2.771 . 3.731 2.190 1.995 2.326 . 0 0 "[ . 1 . 2]" 1
92 1 32 LEU HB3 1 34 ILE QG 2.305 . 2.969 2.505 2.349 2.712 . 0 0 "[ . 1 . 2]" 1
93 1 42 LEU HA 1 42 LEU HG 3.037 . 4.190 3.068 2.965 3.152 . 0 0 "[ . 1 . 2]" 1
94 1 57 ASP HA 1 57 ASP HB2 2.157 . 2.738 2.623 2.407 3.029 0.291 6 0 "[ . 1 . 2]" 1
95 1 42 LEU HA 1 43 ILE H 2.119 . 2.680 2.129 2.116 2.142 . 0 0 "[ . 1 . 2]" 1
96 1 42 LEU H 1 42 LEU HA 2.900 . 3.951 2.902 2.882 2.914 . 0 0 "[ . 1 . 2]" 1
97 1 57 ASP HA 1 58 ALA H 2.559 . 3.378 2.678 2.318 3.515 0.137 10 0 "[ . 1 . 2]" 1
98 1 28 LEU HB2 1 29 LEU H 2.627 . 3.490 2.486 2.339 2.590 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLY HA3 1 67 SER HA 2.777 . 3.741 2.457 2.103 2.975 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLY H 1 9 GLY HA3 2.714 . 3.635 2.610 2.321 2.934 . 0 0 "[ . 1 . 2]" 1
101 1 34 ILE HB 1 34 ILE QG 2.526 . 3.289 2.385 2.361 2.410 . 0 0 "[ . 1 . 2]" 1
102 1 29 LEU HB3 1 34 ILE HB 2.978 . 4.087 3.302 3.104 3.440 . 0 0 "[ . 1 . 2]" 1
103 1 29 LEU HA 1 34 ILE HB 2.911 . 3.971 3.675 3.525 3.821 . 0 0 "[ . 1 . 2]" 1
104 1 29 LEU HB2 1 34 ILE HB 2.673 . 3.566 1.806 1.760 1.876 0.020 6 0 "[ . 1 . 2]" 1
105 1 67 SER QB 1 78 GLY QA 2.534 . 3.336 3.245 3.105 3.317 . 0 0 "[ . 1 . 2]" 1
106 1 40 THR HB 1 40 THR MG 1.915 . 2.373 2.133 2.127 2.137 . 0 0 "[ . 1 . 2]" 1
107 1 39 PRO HD2 1 40 THR MG 2.760 . 3.712 3.479 3.133 3.731 0.019 1 0 "[ . 1 . 2]" 1
108 1 39 PRO HG2 1 40 THR MG 2.551 . 3.365 2.851 2.421 3.367 0.002 5 0 "[ . 1 . 2]" 1
109 1 26 THR HB 1 26 THR MG 2.036 . 2.554 2.131 2.129 2.133 . 0 0 "[ . 1 . 2]" 1
110 1 26 THR MG 1 27 LEU HA 2.814 . 3.804 3.562 3.440 3.730 . 0 0 "[ . 1 . 2]" 1
111 1 26 THR HA 1 26 THR MG 2.100 . 2.651 2.420 2.370 2.457 . 0 0 "[ . 1 . 2]" 1
112 1 21 ASP HA 1 26 THR MG 2.697 . 3.607 3.730 3.688 3.778 0.171 18 0 "[ . 1 . 2]" 1
113 1 40 THR H 1 40 THR MG 2.216 . 2.830 2.716 2.473 2.894 0.064 1 0 "[ . 1 . 2]" 1
114 1 26 THR MG 1 27 LEU H 2.800 . 3.780 3.469 3.379 3.599 . 0 0 "[ . 1 . 2]" 1
115 1 84 LEU HB2 1 84 LEU QD 2.669 . 3.171 2.226 2.125 2.288 . 0 0 "[ . 1 . 2]" 1
116 1 84 LEU HA 1 84 LEU HB2 2.594 . 3.435 2.995 2.971 3.017 . 0 0 "[ . 1 . 2]" 1
117 1 84 LEU H 1 84 LEU HB2 2.544 . 3.353 3.373 2.804 3.482 0.129 20 0 "[ . 1 . 2]" 1
118 1 3 TRP HA 1 3 TRP HB3 2.412 . 3.139 2.599 2.385 3.030 . 0 0 "[ . 1 . 2]" 1
119 1 3 TRP HA 1 3 TRP HB2 2.470 . 3.233 2.859 2.449 3.027 . 0 0 "[ . 1 . 2]" 1
120 1 3 TRP HA 1 3 TRP HD1 3.173 . 4.432 4.052 3.283 4.472 0.040 19 0 "[ . 1 . 2]" 1
121 1 42 LEU MD1 1 81 PRO HG3 2.846 . 3.858 2.590 2.392 2.811 . 0 0 "[ . 1 . 2]" 1
122 1 64 VAL MG1 1 81 PRO HG3 3.147 . 4.385 3.220 3.080 3.358 . 0 0 "[ . 1 . 2]" 1
123 1 81 PRO HB3 1 81 PRO HG3 2.455 . 3.208 2.301 2.294 2.314 . 0 0 "[ . 1 . 2]" 1
124 1 58 ALA MB 1 59 CYS QB 3.071 . 4.250 3.552 3.199 4.087 . 0 0 "[ . 1 . 2]" 1
125 1 13 CYS QB 1 59 CYS QB 2.614 . 3.468 2.364 2.080 2.550 . 0 0 "[ . 1 . 2]" 1
126 1 50 ILE MG 1 59 CYS QB 2.887 . 3.929 3.664 2.877 3.821 . 0 0 "[ . 1 . 2]" 1
127 1 28 LEU HA 1 31 GLU HB2 2.772 . 3.733 3.245 2.413 3.843 0.110 5 0 "[ . 1 . 2]" 1
128 1 28 LEU HA 1 31 GLU HB3 2.799 . 3.779 3.535 2.798 3.930 0.151 10 0 "[ . 1 . 2]" 1
129 1 28 LEU HA 1 28 LEU HB2 2.455 . 3.208 3.019 3.013 3.024 . 0 0 "[ . 1 . 2]" 1
130 1 28 LEU HA 1 28 LEU HB3 2.283 . 2.934 2.439 2.413 2.466 . 0 0 "[ . 1 . 2]" 1
131 1 28 LEU H 1 28 LEU HA 2.432 . 3.171 2.834 2.807 2.857 . 0 0 "[ . 1 . 2]" 1
132 1 25 GLY HA2 1 28 LEU HB2 2.868 . 3.896 2.630 2.425 2.853 . 0 0 "[ . 1 . 2]" 1
133 1 25 GLY HA2 1 43 ILE MD 2.561 . 3.381 2.437 2.269 2.614 . 0 0 "[ . 1 . 2]" 1
134 1 18 VAL MG2 1 25 GLY HA2 2.535 . 3.338 2.138 1.998 2.242 . 0 0 "[ . 1 . 2]" 1
135 1 18 VAL MG1 1 25 GLY HA2 3.045 . 4.204 4.051 3.840 4.220 0.016 8 0 "[ . 1 . 2]" 1
136 1 20 GLY HA2 1 25 GLY HA2 2.995 . 4.116 4.018 3.895 4.124 0.008 10 0 "[ . 1 . 2]" 1
137 1 25 GLY H 1 25 GLY HA2 2.440 . 3.185 2.773 2.761 2.786 . 0 0 "[ . 1 . 2]" 1
138 1 25 GLY HA2 1 26 THR H 2.975 . 4.081 3.525 3.516 3.533 . 0 0 "[ . 1 . 2]" 1
139 1 65 CYS HA 1 65 CYS HB3 2.638 . 3.508 3.028 3.022 3.031 . 0 0 "[ . 1 . 2]" 1
140 1 65 CYS HA 1 65 CYS HB2 2.526 . 3.323 2.451 2.403 2.520 . 0 0 "[ . 1 . 2]" 1
141 1 64 VAL MG2 1 65 CYS HA 2.885 . 3.926 3.979 3.931 4.034 0.108 7 0 "[ . 1 . 2]" 1
142 1 13 CYS HA 1 13 CYS QB 2.535 . 3.338 2.321 2.292 2.369 . 0 0 "[ . 1 . 2]" 1
143 1 13 CYS HA 1 63 ALA MB 2.996 . 4.118 3.885 3.543 4.091 . 0 0 "[ . 1 . 2]" 1
144 1 65 CYS HA 1 66 CYS H 2.174 . 2.765 2.185 2.168 2.228 . 0 0 "[ . 1 . 2]" 1
145 1 65 CYS H 1 65 CYS HA 2.841 . 3.850 2.937 2.921 2.946 . 0 0 "[ . 1 . 2]" 1
146 1 13 CYS HA 1 14 CYS H 2.078 . 2.618 2.132 2.099 2.185 . 0 0 "[ . 1 . 2]" 1
147 1 13 CYS HA 1 64 VAL H 3.060 . 4.230 3.191 2.857 3.424 . 0 0 "[ . 1 . 2]" 1
148 1 71 VAL H 1 71 VAL HB 2.629 . 3.493 3.467 2.419 3.728 0.235 20 0 "[ . 1 . 2]" 1
149 1 6 CYS HA 1 6 CYS QB 2.624 . 3.299 2.320 2.187 2.398 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLN HB3 1 12 GLN QG 2.407 . 3.131 2.443 2.414 2.479 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLN HB3 1 76 ALA MB 3.118 . 4.333 4.296 4.137 4.410 0.077 16 0 "[ . 1 . 2]" 1
152 1 52 VAL HB 1 52 VAL MG2 2.077 . 2.616 2.122 2.116 2.126 . 0 0 "[ . 1 . 2]" 1
153 1 19 PRO HB2 1 19 PRO HD3 3.008 . 4.139 3.898 3.887 3.922 . 0 0 "[ . 1 . 2]" 1
154 1 19 PRO HB2 1 19 PRO HD2 3.034 . 4.185 2.998 2.975 3.031 . 0 0 "[ . 1 . 2]" 1
155 1 19 PRO HB2 1 19 PRO HG2 2.213 . 2.825 2.318 2.310 2.322 . 0 0 "[ . 1 . 2]" 1
156 1 37 GLU HA 1 37 GLU QB 2.595 2.047 3.143 2.370 2.319 2.422 . 0 0 "[ . 1 . 2]" 1
157 1 37 GLU H 1 37 GLU HA 2.539 . 3.345 2.882 2.839 2.915 . 0 0 "[ . 1 . 2]" 1
158 1 37 GLU HA 1 38 ASP H 2.996 . 4.118 3.461 3.420 3.510 . 0 0 "[ . 1 . 2]" 1
159 1 9 GLY HA2 1 67 SER HA 2.802 . 3.784 3.368 2.423 3.823 0.039 17 0 "[ . 1 . 2]" 1
160 1 9 GLY HA2 1 10 SER H 2.503 . 3.286 3.001 2.493 3.357 0.071 17 0 "[ . 1 . 2]" 1
161 1 29 LEU HA 1 29 LEU HB3 2.340 . 3.024 2.415 2.397 2.456 . 0 0 "[ . 1 . 2]" 1
162 1 29 LEU HA 1 29 LEU HB2 2.296 . 2.955 2.428 2.378 2.449 . 0 0 "[ . 1 . 2]" 1
163 1 29 LEU HA 1 32 LEU HB3 2.710 . 3.628 3.710 3.683 3.731 0.103 5 0 "[ . 1 . 2]" 1
164 1 15 GLN HA 1 15 GLN HG3 2.895 . 3.943 3.671 3.577 3.728 . 0 0 "[ . 1 . 2]" 1
165 1 15 GLN HA 1 15 GLN HB3 2.142 . 2.715 2.803 2.746 2.857 0.142 10 0 "[ . 1 . 2]" 1
166 1 29 LEU HA 1 34 ILE QG 2.928 . 4.000 2.917 2.377 3.332 . 0 0 "[ . 1 . 2]" 1
167 1 29 LEU H 1 29 LEU HA 2.469 . 3.231 2.866 2.848 2.889 . 0 0 "[ . 1 . 2]" 1
168 1 29 LEU HA 1 31 GLU H 2.809 . 3.795 3.874 3.795 3.918 0.123 15 0 "[ . 1 . 2]" 1
169 1 29 LEU HA 1 34 ILE H 3.063 . 4.236 3.735 3.241 3.921 . 0 0 "[ . 1 . 2]" 1
170 1 15 GLN HB3 1 15 GLN HG3 2.244 . 2.873 2.530 2.498 2.552 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLN HG3 1 16 ASN HD21 2.861 . 3.884 3.890 3.434 4.007 0.123 11 0 "[ . 1 . 2]" 1
172 1 26 THR H 1 26 THR HB 2.318 . 2.990 2.515 2.458 2.605 . 0 0 "[ . 1 . 2]" 1
173 1 13 CYS QB 1 48 ASP QB 3.044 . 4.202 3.651 3.030 4.029 . 0 0 "[ . 1 . 2]" 1
174 1 43 ILE HB 1 43 ILE HG13 2.530 . 3.330 2.503 2.487 2.519 . 0 0 "[ . 1 . 2]" 1
175 1 43 ILE HB 1 43 ILE HG12 2.715 . 3.636 3.023 3.020 3.025 . 0 0 "[ . 1 . 2]" 1
176 1 43 ILE HB 1 43 ILE MD 2.391 . 3.106 2.384 2.369 2.392 . 0 0 "[ . 1 . 2]" 1
177 1 18 VAL MG2 1 43 ILE HB 2.929 . 4.002 4.067 4.022 4.112 0.110 5 0 "[ . 1 . 2]" 1
178 1 43 ILE HB 1 44 GLY H 2.644 . 3.518 2.934 2.736 3.057 . 0 0 "[ . 1 . 2]" 1
179 1 37 GLU QB 1 37 GLU HG2 2.394 . 3.111 2.325 2.156 2.380 . 0 0 "[ . 1 . 2]" 1
180 1 80 LEU MD2 1 80 LEU HG 2.319 . 2.991 2.128 2.126 2.129 . 0 0 "[ . 1 . 2]" 1
181 1 80 LEU HA 1 80 LEU HG 2.953 . 4.043 3.123 3.068 3.184 . 0 0 "[ . 1 . 2]" 1
182 1 23 ASP HB2 1 24 LEU H 2.550 . 3.363 2.700 2.435 3.590 0.227 4 0 "[ . 1 . 2]" 1
183 1 23 ASP H 1 23 ASP HB3 3.077 . 4.260 3.536 2.700 3.605 . 0 0 "[ . 1 . 2]" 1
184 1 17 VAL MG2 1 62 THR MG 2.051 . 2.577 2.064 1.966 2.169 . 0 0 "[ . 1 . 2]" 1
185 1 62 THR MG 1 64 VAL MG1 1.997 . 2.496 2.338 2.035 2.515 0.019 18 0 "[ . 1 . 2]" 1
186 1 62 THR HA 1 62 THR MG 2.091 . 2.638 2.353 2.301 2.411 . 0 0 "[ . 1 . 2]" 1
187 1 62 THR HB 1 62 THR MG 2.021 . 2.532 2.136 2.133 2.138 . 0 0 "[ . 1 . 2]" 1
188 1 17 VAL HB 1 62 THR MG 2.403 . 3.125 3.134 2.905 3.213 0.088 4 0 "[ . 1 . 2]" 1
189 1 62 THR MG 1 63 ALA H 2.334 . 3.015 2.647 2.535 2.749 . 0 0 "[ . 1 . 2]" 1
190 1 28 LEU HB3 1 28 LEU HG 2.876 . 3.910 3.000 2.993 3.005 . 0 0 "[ . 1 . 2]" 1
191 1 27 LEU HA 1 27 LEU HG 2.982 . 4.094 3.629 2.298 3.740 . 0 0 "[ . 1 . 2]" 1
192 1 41 VAL HA 1 42 LEU HG 2.990 . 4.108 3.889 3.768 3.981 . 0 0 "[ . 1 . 2]" 1
193 1 42 LEU QB 1 42 LEU HG 2.552 . 3.366 2.366 2.340 2.390 . 0 0 "[ . 1 . 2]" 1
194 1 42 LEU QB 1 42 LEU MD2 2.570 . 2.922 2.294 2.258 2.322 . 0 0 "[ . 1 . 2]" 1
195 1 42 LEU QB 1 79 CYS HB3 2.920 . 3.986 3.808 3.413 4.725 0.739 16 2 "[ . - 1 .+ 2]" 1
196 1 57 ASP HA 1 57 ASP HB3 2.417 . 3.148 2.815 2.403 3.033 . 0 0 "[ . 1 . 2]" 1
197 1 57 ASP H 1 57 ASP HB3 2.951 . 4.040 3.003 2.485 3.727 . 0 0 "[ . 1 . 2]" 1
198 1 66 CYS HA 1 80 LEU H 2.858 . 3.879 3.508 3.155 3.753 . 0 0 "[ . 1 . 2]" 1
199 1 19 PRO HD3 1 19 PRO HG2 2.487 . 3.260 2.695 2.685 2.700 . 0 0 "[ . 1 . 2]" 1
200 1 19 PRO HD3 1 19 PRO HG3 2.382 . 3.091 2.306 2.303 2.311 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL MG1 1 19 PRO HD3 2.862 . 3.886 3.688 3.562 3.784 . 0 0 "[ . 1 . 2]" 1
202 1 39 PRO HB3 1 39 PRO HD2 3.054 . 4.220 3.877 3.865 3.887 . 0 0 "[ . 1 . 2]" 1
203 1 39 PRO HD2 1 39 PRO HG2 2.376 . 3.082 2.299 2.292 2.304 . 0 0 "[ . 1 . 2]" 1
204 1 18 VAL HA 1 19 PRO HD3 1.997 . 2.495 1.982 1.949 2.014 . 0 0 "[ . 1 . 2]" 1
205 1 39 PRO HD2 1 40 THR H 2.736 . 3.672 2.962 2.849 3.161 . 0 0 "[ . 1 . 2]" 1
206 1 38 ASP HA 1 39 PRO HD2 2.027 . 2.541 2.048 1.975 2.206 . 0 0 "[ . 1 . 2]" 1
207 1 35 VAL HA 1 35 VAL HB 2.640 . 3.511 2.622 2.390 3.027 . 0 0 "[ . 1 . 2]" 1
208 1 35 VAL HA 1 36 LEU HG 2.984 . 4.097 3.724 3.494 4.101 0.004 19 0 "[ . 1 . 2]" 1
209 1 34 ILE MG 1 35 VAL HA 2.838 . 3.845 3.753 3.600 3.884 0.039 1 0 "[ . 1 . 2]" 1
210 1 41 VAL HA 1 41 VAL HB 2.108 . 2.664 2.427 2.404 2.470 . 0 0 "[ . 1 . 2]" 1
211 1 41 VAL HA 1 42 LEU QB 3.413 . 4.869 4.483 4.441 4.533 . 0 0 "[ . 1 . 2]" 1
212 1 41 VAL HA 1 41 VAL MG1 2.079 . 2.619 2.378 2.326 2.405 . 0 0 "[ . 1 . 2]" 1
213 1 41 VAL HA 1 41 VAL MG2 2.450 . 3.200 3.214 3.210 3.217 0.017 20 0 "[ . 1 . 2]" 1
214 1 35 VAL HA 1 36 LEU H 1.965 . 2.447 2.151 2.115 2.199 . 0 0 "[ . 1 . 2]" 1
215 1 35 VAL H 1 35 VAL HA 2.656 . 3.538 2.925 2.894 2.947 . 0 0 "[ . 1 . 2]" 1
216 1 41 VAL HA 1 42 LEU H 2.000 . 2.500 2.334 2.245 2.381 . 0 0 "[ . 1 . 2]" 1
217 1 41 VAL H 1 41 VAL HA 2.361 . 3.058 2.895 2.845 2.936 . 0 0 "[ . 1 . 2]" 1
218 1 33 GLY H 1 33 GLY HA2 2.116 . 2.675 2.302 2.287 2.320 . 0 0 "[ . 1 . 2]" 1
219 1 24 LEU HB3 1 24 LEU QD 2.435 . 2.621 2.231 2.098 2.286 . 0 0 "[ . 1 . 2]" 1
220 1 18 VAL MG2 1 24 LEU HB3 2.756 . 3.705 2.866 2.675 3.113 . 0 0 "[ . 1 . 2]" 1
221 1 24 LEU HA 1 24 LEU HB3 2.459 . 3.215 2.754 2.709 2.802 . 0 0 "[ . 1 . 2]" 1
222 1 24 LEU HB3 1 28 LEU HG 2.698 . 3.608 3.297 3.116 3.611 0.003 7 0 "[ . 1 . 2]" 1
223 1 13 CYS HA 1 50 ILE MD 2.879 . 3.915 2.832 2.551 2.985 . 0 0 "[ . 1 . 2]" 1
224 1 36 LEU HA 1 36 LEU HG 2.846 . 3.858 3.281 2.894 3.607 . 0 0 "[ . 1 . 2]" 1
225 1 36 LEU HA 1 36 LEU QB 2.623 . 3.118 2.252 2.155 2.354 . 0 0 "[ . 1 . 2]" 1
226 1 36 LEU HA 1 37 GLU H 2.130 . 2.697 2.152 2.111 2.226 . 0 0 "[ . 1 . 2]" 1
227 1 36 LEU H 1 36 LEU HA 2.582 . 3.416 2.892 2.851 2.932 . 0 0 "[ . 1 . 2]" 1
228 1 50 ILE HB 1 50 ILE HG13 2.542 . 3.350 2.455 2.436 2.492 . 0 0 "[ . 1 . 2]" 1
229 1 5 GLN HB3 1 5 GLN HG2 2.091 . 2.637 2.677 2.302 3.008 0.371 16 0 "[ . 1 . 2]" 1
230 1 51 THR HB 1 51 THR MG 2.020 . 2.530 2.129 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
231 1 49 PRO HB2 1 51 THR MG 2.698 . 3.608 3.067 2.633 3.365 . 0 0 "[ . 1 . 2]" 1
232 1 83 THR HA 1 83 THR MG 2.235 . 2.859 2.482 2.283 3.175 0.316 16 0 "[ . 1 . 2]" 1
233 1 83 THR HB 1 83 THR MG 2.066 . 2.600 2.133 2.118 2.138 . 0 0 "[ . 1 . 2]" 1
234 1 51 THR H 1 51 THR MG 2.810 . 3.797 2.168 2.020 2.302 . 0 0 "[ . 1 . 2]" 1
235 1 83 THR MG 1 84 LEU H 2.662 . 3.548 2.551 1.944 3.535 . 0 0 "[ . 1 . 2]" 1
236 1 36 LEU QB 1 36 LEU HG 2.636 . 3.136 2.457 2.415 2.496 . 0 0 "[ . 1 . 2]" 1
237 1 36 LEU H 1 36 LEU QB 2.749 . 3.165 2.655 2.412 2.965 . 0 0 "[ . 1 . 2]" 1
238 1 48 ASP QB 1 49 PRO QD 3.021 . 3.396 2.816 2.531 3.134 . 0 0 "[ . 1 . 2]" 1
239 1 49 PRO HB2 1 49 PRO QD 2.834 . 3.838 3.034 2.941 3.519 . 0 0 "[ . 1 . 2]" 1
240 1 48 ASP HA 1 49 PRO QD 2.081 . 2.574 1.852 1.767 1.997 . 0 0 "[ . 1 . 2]" 1
241 1 80 LEU HB3 1 80 LEU MD2 2.372 . 3.076 2.345 2.300 2.390 . 0 0 "[ . 1 . 2]" 1
242 1 80 LEU HB3 1 80 LEU MD1 2.368 . 3.069 2.385 2.341 2.422 . 0 0 "[ . 1 . 2]" 1
243 1 80 LEU H 1 80 LEU HB3 2.808 . 3.794 3.691 3.660 3.730 . 0 0 "[ . 1 . 2]" 1
244 1 65 CYS H 1 65 CYS HB2 2.708 . 3.625 3.155 2.998 3.269 . 0 0 "[ . 1 . 2]" 1
245 1 80 LEU HB3 1 81 PRO HD3 2.568 . 3.392 3.524 3.485 3.558 0.166 13 0 "[ . 1 . 2]" 1
246 1 80 LEU MD2 1 81 PRO HD3 2.657 . 3.539 3.067 2.947 3.129 . 0 0 "[ . 1 . 2]" 1
247 1 81 PRO HD3 1 81 PRO HG2 2.402 . 3.123 2.682 2.676 2.687 . 0 0 "[ . 1 . 2]" 1
248 1 81 PRO HD3 1 81 PRO HG3 2.380 . 3.088 2.315 2.310 2.321 . 0 0 "[ . 1 . 2]" 1
249 1 19 PRO HD2 1 19 PRO HG2 2.306 . 2.971 2.312 2.309 2.318 . 0 0 "[ . 1 . 2]" 1
250 1 18 VAL MG2 1 19 PRO HD2 3.032 . 4.181 4.167 4.065 4.217 0.036 9 0 "[ . 1 . 2]" 1
251 1 39 PRO HD3 1 39 PRO HG2 2.523 . 3.319 2.981 2.973 2.986 . 0 0 "[ . 1 . 2]" 1
252 1 39 PRO HB3 1 39 PRO HD3 2.702 . 3.614 3.002 2.971 3.042 . 0 0 "[ . 1 . 2]" 1
253 1 39 PRO HD3 1 39 PRO HG3 2.285 . 2.938 2.303 2.294 2.310 . 0 0 "[ . 1 . 2]" 1
254 1 19 PRO HD2 1 22 SER HB3 2.475 . 3.241 2.613 2.500 2.736 . 0 0 "[ . 1 . 2]" 1
255 1 18 VAL HA 1 19 PRO HD2 2.227 . 2.847 2.593 2.511 2.683 . 0 0 "[ . 1 . 2]" 1
256 1 38 ASP HA 1 39 PRO HD3 2.094 . 2.642 2.507 2.236 2.660 0.018 7 0 "[ . 1 . 2]" 1
257 1 61 ALA MB 1 62 THR HB 3.116 . 4.329 3.726 3.572 3.933 . 0 0 "[ . 1 . 2]" 1
258 1 62 THR HA 1 62 THR HB 2.828 . 3.828 3.026 3.019 3.030 . 0 0 "[ . 1 . 2]" 1
259 1 62 THR H 1 62 THR HB 2.293 . 2.950 2.888 2.580 2.987 0.037 12 0 "[ . 1 . 2]" 1
260 1 28 LEU HB3 1 29 LEU H 2.857 . 3.877 3.611 3.503 3.703 . 0 0 "[ . 1 . 2]" 1
261 1 28 LEU H 1 28 LEU HB3 2.667 . 3.556 3.609 3.602 3.620 0.064 8 0 "[ . 1 . 2]" 1
262 1 68 ASP HB3 1 77 ILE HB 2.880 . 3.917 2.280 1.917 2.891 . 0 0 "[ . 1 . 2]" 1
263 1 40 THR HA 1 40 THR HB 2.095 . 2.644 2.551 2.442 2.634 . 0 0 "[ . 1 . 2]" 1
264 1 51 THR HA 1 51 THR HB 2.106 . 2.660 2.444 2.375 2.483 . 0 0 "[ . 1 . 2]" 1
265 1 40 THR H 1 40 THR HB 2.942 . 4.024 3.618 3.521 3.749 . 0 0 "[ . 1 . 2]" 1
266 1 51 THR HB 1 52 VAL H 3.182 . 4.447 4.474 4.395 4.529 0.082 16 0 "[ . 1 . 2]" 1
267 1 51 THR H 1 51 THR HB 3.034 . 4.185 3.150 2.951 3.368 . 0 0 "[ . 1 . 2]" 1
268 1 43 ILE H 1 43 ILE HG12 2.656 . 3.538 2.152 2.110 2.213 . 0 0 "[ . 1 . 2]" 1
269 1 77 ILE HB 1 77 ILE HG13 2.541 . 3.348 2.471 2.458 2.485 . 0 0 "[ . 1 . 2]" 1
270 1 68 ASP HB2 1 77 ILE HB 2.806 . 3.790 3.066 1.973 3.829 0.039 12 0 "[ . 1 . 2]" 1
271 1 77 ILE H 1 77 ILE HB 2.492 . 3.268 2.674 2.624 2.742 . 0 0 "[ . 1 . 2]" 1
272 1 24 LEU HA 1 24 LEU HB2 2.270 . 2.914 2.918 2.887 2.941 0.027 8 0 "[ . 1 . 2]" 1
273 1 24 LEU H 1 24 LEU HA 2.502 . 3.285 2.841 2.818 2.856 . 0 0 "[ . 1 . 2]" 1
274 1 83 THR HA 1 83 THR HB 2.416 . 3.146 2.943 2.445 3.029 . 0 0 "[ . 1 . 2]" 1
275 1 83 THR HB 1 84 LEU H 2.903 . 3.957 3.980 3.701 4.346 0.389 16 0 "[ . 1 . 2]" 1
276 1 83 THR H 1 83 THR HB 2.467 . 3.228 3.014 2.601 3.501 0.273 18 0 "[ . 1 . 2]" 1
277 1 73 GLY HA2 1 74 VAL HA 3.153 . 4.395 4.450 4.431 4.468 0.073 19 0 "[ . 1 . 2]" 1
278 1 5 GLN HB2 1 5 GLN HG2 2.362 . 3.059 2.688 2.407 3.010 . 0 0 "[ . 1 . 2]" 1
279 1 19 PRO HB3 1 19 PRO HG2 2.412 . 3.139 2.678 2.669 2.693 . 0 0 "[ . 1 . 2]" 1
280 1 19 PRO HB3 1 42 LEU MD2 2.795 . 3.772 2.956 2.731 3.186 . 0 0 "[ . 1 . 2]" 1
281 1 19 PRO HB3 1 19 PRO HD3 3.106 . 4.312 4.035 4.022 4.042 . 0 0 "[ . 1 . 2]" 1
282 1 19 PRO HB3 1 20 GLY H 2.992 . 4.111 3.417 3.356 3.479 . 0 0 "[ . 1 . 2]" 1
283 1 19 PRO HB3 1 21 ASP H 2.990 . 4.108 3.444 3.278 3.631 . 0 0 "[ . 1 . 2]" 1
284 1 19 PRO HB2 1 22 SER HB3 2.728 . 3.658 2.851 2.789 2.913 . 0 0 "[ . 1 . 2]" 1
285 1 79 CYS HA 1 80 LEU HG 3.134 . 4.362 3.973 3.739 4.175 . 0 0 "[ . 1 . 2]" 1
286 1 79 CYS HA 1 80 LEU H 2.164 . 2.750 2.140 2.111 2.183 . 0 0 "[ . 1 . 2]" 1
287 1 67 SER H 1 79 CYS HA 2.869 . 3.898 3.555 3.099 3.881 . 0 0 "[ . 1 . 2]" 1
288 1 79 CYS H 1 79 CYS HA 2.720 . 3.645 2.922 2.915 2.937 . 0 0 "[ . 1 . 2]" 1
289 1 52 VAL MG1 1 53 ALA HA 3.004 . 4.132 4.137 3.948 4.225 0.093 9 0 "[ . 1 . 2]" 1
290 1 53 ALA H 1 53 ALA HA 2.776 . 3.739 2.782 2.257 2.946 . 0 0 "[ . 1 . 2]" 1
291 1 79 CYS H 1 79 CYS HB3 2.527 . 3.325 3.497 3.391 3.716 0.391 7 0 "[ . 1 . 2]" 1
292 1 79 CYS HB3 1 80 LEU H 2.945 . 4.029 3.244 2.955 3.442 . 0 0 "[ . 1 . 2]" 1
293 1 34 ILE QG 1 72 SER QB 2.916 . 3.979 3.600 2.997 3.746 . 0 0 "[ . 1 . 2]" 1
294 1 72 SER QB 1 75 ILE MD 2.658 . 3.541 2.584 2.085 2.838 . 0 0 "[ . 1 . 2]" 1
295 1 72 SER H 1 72 SER QB 2.684 . 3.584 2.524 2.274 2.695 . 0 0 "[ . 1 . 2]" 1
296 1 18 VAL HB 1 18 VAL MG1 2.244 . 2.873 2.129 2.126 2.131 . 0 0 "[ . 1 . 2]" 1
297 1 18 VAL HB 1 19 PRO HD3 2.776 . 3.739 3.638 3.476 3.729 . 0 0 "[ . 1 . 2]" 1
298 1 18 VAL HB 1 19 PRO HD2 2.546 . 3.357 2.761 2.637 2.827 . 0 0 "[ . 1 . 2]" 1
299 1 59 CYS HA 1 59 CYS QB 2.284 . 2.936 2.347 2.182 2.393 . 0 0 "[ . 1 . 2]" 1
300 1 59 CYS HA 1 60 SER H 3.013 . 4.147 2.224 2.134 2.665 . 0 0 "[ . 1 . 2]" 1
301 1 70 ASN HA 1 70 ASN HB3 2.774 . 3.736 2.690 2.373 3.029 . 0 0 "[ . 1 . 2]" 1
302 1 71 VAL HB 1 75 ILE HG13 3.016 . 4.153 3.227 2.150 4.381 0.228 19 0 "[ . 1 . 2]" 1
303 1 75 ILE HB 1 75 ILE HG13 2.529 . 3.328 2.591 2.536 2.703 . 0 0 "[ . 1 . 2]" 1
304 1 77 ILE H 1 77 ILE HG13 2.808 . 3.794 2.836 2.790 2.893 . 0 0 "[ . 1 . 2]" 1
305 1 75 ILE H 1 75 ILE HG13 2.994 . 4.115 2.755 2.424 2.990 . 0 0 "[ . 1 . 2]" 1
306 1 84 LEU H 1 84 LEU HG 2.749 . 3.693 3.094 2.816 3.826 0.133 2 0 "[ . 1 . 2]" 1
307 1 39 PRO HB3 1 39 PRO HG3 2.290 . 2.946 2.322 2.317 2.328 . 0 0 "[ . 1 . 2]" 1
308 1 39 PRO HD2 1 39 PRO HG3 2.622 . 3.481 2.714 2.699 2.736 . 0 0 "[ . 1 . 2]" 1
309 1 48 ASP HA 1 48 ASP QB 2.274 . 2.920 2.258 2.166 2.376 . 0 0 "[ . 1 . 2]" 1
310 1 48 ASP HA 1 49 PRO HG2 3.186 . 4.455 4.388 4.309 4.470 0.015 14 0 "[ . 1 . 2]" 1
311 1 41 VAL HB 1 42 LEU H 2.438 . 3.181 2.512 2.421 2.681 . 0 0 "[ . 1 . 2]" 1
312 1 70 ASN HA 1 70 ASN HB2 2.372 . 3.075 2.713 2.291 3.028 . 0 0 "[ . 1 . 2]" 1
313 1 11 ILE HG13 1 11 ILE MG 2.649 . 3.526 3.120 2.546 3.192 . 0 0 "[ . 1 . 2]" 1
314 1 11 ILE HB 1 11 ILE HG13 2.349 . 3.038 2.457 2.366 3.000 . 0 0 "[ . 1 . 2]" 1
315 1 22 SER HA 1 22 SER HB2 2.221 . 2.838 2.407 2.388 2.423 . 0 0 "[ . 1 . 2]" 1
316 1 55 SER HA 1 55 SER HB3 2.388 . 3.101 2.678 2.389 3.034 . 0 0 "[ . 1 . 2]" 1
317 1 22 SER HA 1 23 ASP H 2.576 . 3.406 2.322 2.279 2.377 . 0 0 "[ . 1 . 2]" 1
318 1 22 SER H 1 22 SER HA 2.666 . 3.555 2.864 2.839 2.892 . 0 0 "[ . 1 . 2]" 1
319 1 5 GLN HA 1 5 GLN HG2 2.499 . 3.280 3.034 2.468 3.815 0.535 1 1 "[+ . 1 . 2]" 1
320 1 5 GLN HA 1 5 GLN HB3 2.346 . 3.034 2.571 2.419 3.021 . 0 0 "[ . 1 . 2]" 1
321 1 5 GLN HA 1 5 GLN HB2 2.542 . 3.349 2.900 2.401 3.028 . 0 0 "[ . 1 . 2]" 1
322 1 5 GLN H 1 5 GLN HA 2.814 . 3.804 2.884 2.802 2.940 . 0 0 "[ . 1 . 2]" 1
323 1 53 ALA HA 1 53 ALA MB 2.130 . 2.697 2.128 2.120 2.132 . 0 0 "[ . 1 . 2]" 1
324 1 37 GLU QB 1 37 GLU HG3 2.483 . 3.253 2.287 2.159 2.406 . 0 0 "[ . 1 . 2]" 1
325 1 23 ASP HA 1 26 THR HB 2.442 . 3.188 3.230 3.132 3.276 0.088 1 0 "[ . 1 . 2]" 1
326 1 23 ASP HA 1 26 THR MG 3.145 . 4.381 4.454 4.423 4.489 0.108 17 0 "[ . 1 . 2]" 1
327 1 23 ASP HA 1 24 LEU H 2.671 . 3.563 3.517 3.489 3.534 . 0 0 "[ . 1 . 2]" 1
328 1 68 ASP HB2 1 77 ILE MG 2.861 . 3.884 2.975 2.421 3.361 . 0 0 "[ . 1 . 2]" 1
329 1 16 ASN H 1 16 ASN QB 2.392 . 3.107 2.584 2.435 2.691 . 0 0 "[ . 1 . 2]" 1
330 1 84 LEU HA 1 84 LEU HG 2.217 . 2.831 2.840 2.460 2.998 0.167 17 0 "[ . 1 . 2]" 1
331 1 84 LEU HA 1 84 LEU QD . . 2.765 2.098 1.952 2.519 . 0 0 "[ . 1 . 2]" 1
332 1 84 LEU H 1 84 LEU HA 2.551 . 3.365 2.288 2.244 2.912 . 0 0 "[ . 1 . 2]" 1
333 1 14 CYS H 1 14 CYS HA 2.979 . 4.088 2.899 2.887 2.912 . 0 0 "[ . 1 . 2]" 1
334 1 14 CYS HA 1 48 ASP H 2.716 . 3.638 3.652 3.559 3.737 0.099 12 0 "[ . 1 . 2]" 1
335 1 14 CYS HA 1 15 GLN H 2.141 . 2.714 2.110 2.083 2.161 . 0 0 "[ . 1 . 2]" 1
336 1 14 CYS HA 1 47 CYS HA 2.085 . 2.629 1.826 1.798 1.866 . 0 0 "[ . 1 . 2]" 1
337 1 29 LEU HB3 1 29 LEU MD2 2.398 . 3.117 2.219 2.188 2.234 . 0 0 "[ . 1 . 2]" 1
338 1 29 LEU HB3 1 29 LEU MD1 2.579 . 3.411 3.192 3.160 3.203 . 0 0 "[ . 1 . 2]" 1
339 1 29 LEU HB3 1 34 ILE MD 3.018 . 4.156 2.281 1.985 2.798 . 0 0 "[ . 1 . 2]" 1
340 1 29 LEU H 1 29 LEU HB3 2.326 . 3.002 2.697 2.595 2.758 . 0 0 "[ . 1 . 2]" 1
341 1 20 GLY HA3 1 43 ILE MG 2.619 . 3.476 3.318 3.080 3.476 . 0 0 "[ . 1 . 2]" 1
342 1 20 GLY HA3 1 43 ILE MD 2.570 . 3.396 3.248 3.045 3.383 . 0 0 "[ . 1 . 2]" 1
343 1 15 GLN HB3 1 46 GLY HA2 2.521 . 3.316 3.441 3.394 3.506 0.190 18 0 "[ . 1 . 2]" 1
344 1 46 GLY HA3 1 74 VAL MG2 3.083 . 4.271 4.277 3.613 4.415 0.144 5 0 "[ . 1 . 2]" 1
345 1 15 GLN HG2 1 46 GLY HA3 2.966 . 4.066 2.470 2.339 2.671 . 0 0 "[ . 1 . 2]" 1
346 1 15 GLN HB3 1 46 GLY HA3 2.550 . 3.363 2.021 1.902 2.159 . 0 0 "[ . 1 . 2]" 1
347 1 15 GLN H 1 46 GLY HA3 2.923 . 3.991 2.897 2.702 3.048 . 0 0 "[ . 1 . 2]" 1
348 1 20 GLY HA3 1 21 ASP H 2.919 . 3.984 3.012 2.929 3.082 . 0 0 "[ . 1 . 2]" 1
349 1 20 GLY H 1 20 GLY HA3 2.200 . 2.805 2.297 2.294 2.306 . 0 0 "[ . 1 . 2]" 1
350 1 46 GLY HA3 1 47 CYS H 2.747 . 3.690 3.528 3.507 3.563 . 0 0 "[ . 1 . 2]" 1
351 1 46 GLY H 1 46 GLY HA3 2.211 . 2.822 2.844 2.797 2.881 0.059 13 0 "[ . 1 . 2]" 1
352 1 47 CYS H 1 47 CYS HA 2.897 . 3.946 2.935 2.924 2.943 . 0 0 "[ . 1 . 2]" 1
353 1 47 CYS HA 1 48 ASP H 2.131 . 2.698 2.101 2.088 2.115 . 0 0 "[ . 1 . 2]" 1
354 1 15 GLN H 1 47 CYS HA 2.856 . 3.876 3.000 2.820 3.215 . 0 0 "[ . 1 . 2]" 1
355 1 50 ILE HA 1 50 ILE HB 2.522 . 3.317 3.019 3.013 3.027 . 0 0 "[ . 1 . 2]" 1
356 1 50 ILE HA 1 50 ILE HG12 2.532 . 3.333 2.605 2.524 2.697 . 0 0 "[ . 1 . 2]" 1
357 1 50 ILE HA 1 50 ILE HG13 2.729 . 3.660 3.199 3.128 3.260 . 0 0 "[ . 1 . 2]" 1
358 1 7 SER HA 1 7 SER HB2 2.113 . 2.671 2.713 2.444 3.036 0.365 20 0 "[ . 1 . 2]" 1
359 1 50 ILE HA 1 51 THR H 2.235 . 2.860 2.172 2.110 2.227 . 0 0 "[ . 1 . 2]" 1
360 1 50 ILE H 1 50 ILE HA 2.668 . 3.558 2.886 2.862 2.911 . 0 0 "[ . 1 . 2]" 1
361 1 7 SER HA 1 8 THR H 3.044 . 4.203 3.333 2.716 3.583 . 0 0 "[ . 1 . 2]" 1
362 1 10 SER H 1 10 SER HB2 2.506 . 3.291 3.022 2.468 3.505 0.214 19 0 "[ . 1 . 2]" 1
363 1 17 VAL MG2 1 44 GLY HA2 2.570 . 3.395 3.375 3.242 3.453 0.058 2 0 "[ . 1 . 2]" 1
364 1 44 GLY H 1 44 GLY HA2 2.713 . 3.633 2.945 2.937 2.953 . 0 0 "[ . 1 . 2]" 1
365 1 19 PRO HD2 1 19 PRO HG3 2.946 . 4.031 2.988 2.986 2.992 . 0 0 "[ . 1 . 2]" 1
366 1 19 PRO HB3 1 19 PRO HG3 2.468 . 3.229 2.308 2.298 2.313 . 0 0 "[ . 1 . 2]" 1
367 1 75 ILE HB 1 76 ALA H 2.701 . 3.613 1.926 1.850 2.052 . 0 0 "[ . 1 . 2]" 1
368 1 17 VAL HA 1 44 GLY HA3 3.016 . 4.153 3.672 3.420 3.926 . 0 0 "[ . 1 . 2]" 1
369 1 17 VAL HA 1 17 VAL HB 2.786 . 3.757 3.028 3.025 3.033 . 0 0 "[ . 1 . 2]" 1
370 1 17 VAL HA 1 45 ASP H 2.989 . 4.106 3.750 3.605 3.902 . 0 0 "[ . 1 . 2]" 1
371 1 17 VAL HA 1 18 VAL H 1.985 . 2.478 2.142 2.127 2.152 . 0 0 "[ . 1 . 2]" 1
372 1 17 VAL H 1 17 VAL HA 2.852 . 3.869 2.934 2.915 2.950 . 0 0 "[ . 1 . 2]" 1
373 1 55 SER HA 1 55 SER HB2 2.355 . 3.048 2.768 2.467 3.035 . 0 0 "[ . 1 . 2]" 1
374 1 49 PRO QD 1 49 PRO HG2 2.262 . 2.901 2.181 2.168 2.190 . 0 0 "[ . 1 . 2]" 1
375 1 38 ASP HA 1 38 ASP HB2 2.636 . 3.504 2.839 2.466 3.033 . 0 0 "[ . 1 . 2]" 1
376 1 38 ASP HA 1 38 ASP HB3 2.360 . 3.056 2.722 2.476 3.037 . 0 0 "[ . 1 . 2]" 1
377 1 32 LEU HB2 1 32 LEU HG 2.323 . 2.997 2.469 2.442 2.515 . 0 0 "[ . 1 . 2]" 1
378 1 29 LEU MD2 1 29 LEU HG 2.078 . 2.618 2.123 2.120 2.126 . 0 0 "[ . 1 . 2]" 1
379 1 39 PRO HB3 1 39 PRO HG2 2.510 . 3.298 2.991 2.987 2.996 . 0 0 "[ . 1 . 2]" 1
380 1 21 ASP HB2 1 39 PRO HB2 2.816 . 3.807 3.039 1.947 4.117 0.310 20 0 "[ . 1 . 2]" 1
381 1 44 GLY H 1 44 GLY HA3 2.381 . 3.090 2.433 2.401 2.466 . 0 0 "[ . 1 . 2]" 1
382 1 44 GLY HA3 1 45 ASP H 2.525 . 3.322 3.369 3.060 3.420 0.098 1 0 "[ . 1 . 2]" 1
383 1 27 LEU HA 1 27 LEU HB3 2.498 . 3.278 3.001 2.871 3.024 . 0 0 "[ . 1 . 2]" 1
384 1 27 LEU HB3 1 28 LEU H 2.605 . 3.453 2.723 2.511 3.157 . 0 0 "[ . 1 . 2]" 1
385 1 52 VAL HA 1 52 VAL MG2 2.134 . 2.703 2.344 2.234 2.413 . 0 0 "[ . 1 . 2]" 1
386 1 52 VAL HA 1 52 VAL HB 2.499 . 3.279 2.474 2.408 2.561 . 0 0 "[ . 1 . 2]" 1
387 1 52 VAL H 1 52 VAL HA 2.635 . 3.503 2.910 2.867 2.933 . 0 0 "[ . 1 . 2]" 1
388 1 48 ASP H 1 48 ASP QB 2.525 . 3.322 2.496 2.276 2.682 . 0 0 "[ . 1 . 2]" 1
389 1 81 PRO HB2 1 81 PRO HD2 2.673 . 3.566 2.992 2.953 3.019 . 0 0 "[ . 1 . 2]" 1
390 1 81 PRO HD2 1 81 PRO HG3 2.451 . 3.202 2.995 2.990 2.998 . 0 0 "[ . 1 . 2]" 1
391 1 80 LEU HB3 1 81 PRO HD2 2.459 . 3.215 2.978 2.900 3.059 . 0 0 "[ . 1 . 2]" 1
392 1 42 LEU MD1 1 81 PRO HD2 2.552 . 3.366 3.403 3.379 3.433 0.067 19 0 "[ . 1 . 2]" 1
393 1 80 LEU HA 1 81 PRO HD2 2.081 . 2.623 2.687 2.649 2.704 0.081 10 0 "[ . 1 . 2]" 1
394 1 10 SER H 1 10 SER HB3 2.521 . 3.315 2.746 2.489 3.572 0.257 2 0 "[ . 1 . 2]" 1
395 1 64 VAL HA 1 64 VAL HB 2.295 . 2.954 2.555 2.530 2.575 . 0 0 "[ . 1 . 2]" 1
396 1 64 VAL HA 1 64 VAL MG2 2.458 . 3.213 3.169 3.159 3.177 . 0 0 "[ . 1 . 2]" 1
397 1 64 VAL HA 1 65 CYS H 2.092 . 2.639 2.397 2.270 2.482 . 0 0 "[ . 1 . 2]" 1
398 1 64 VAL HA 1 82 VAL H 2.431 . 3.170 2.384 2.263 2.506 . 0 0 "[ . 1 . 2]" 1
399 1 12 GLN HB2 1 12 GLN QG 2.091 . 2.637 2.138 2.115 2.222 . 0 0 "[ . 1 . 2]" 1
400 1 27 LEU HA 1 30 ASP HB2 2.673 . 3.566 3.222 2.949 3.391 . 0 0 "[ . 1 . 2]" 1
401 1 27 LEU HA 1 30 ASP HB3 2.525 . 3.322 2.665 2.270 2.976 . 0 0 "[ . 1 . 2]" 1
402 1 27 LEU HA 1 27 LEU HB2 2.316 . 2.986 2.594 2.507 2.818 . 0 0 "[ . 1 . 2]" 1
403 1 27 LEU HA 1 30 ASP H 2.903 . 3.956 3.588 3.393 3.733 . 0 0 "[ . 1 . 2]" 1
404 1 27 LEU HA 1 28 LEU H 2.806 . 3.790 3.506 3.482 3.520 . 0 0 "[ . 1 . 2]" 1
405 1 27 LEU H 1 27 LEU HA 2.430 . 3.168 2.826 2.810 2.858 . 0 0 "[ . 1 . 2]" 1
406 1 32 LEU HB3 1 32 LEU MD1 2.285 . 2.938 2.389 2.363 2.439 . 0 0 "[ . 1 . 2]" 1
407 1 32 LEU HB3 1 32 LEU HG 2.532 . 3.333 3.019 3.017 3.022 . 0 0 "[ . 1 . 2]" 1
408 1 32 LEU H 1 32 LEU HB3 2.715 . 3.636 3.580 3.524 3.648 0.012 8 0 "[ . 1 . 2]" 1
409 1 18 VAL MG1 1 25 GLY HA3 3.172 . 4.429 4.407 4.289 4.475 0.046 20 0 "[ . 1 . 2]" 1
410 1 25 GLY HA3 1 26 THR H 2.673 . 3.566 2.845 2.809 2.892 . 0 0 "[ . 1 . 2]" 1
411 1 25 GLY H 1 25 GLY HA3 2.295 . 2.954 2.291 2.287 2.295 . 0 0 "[ . 1 . 2]" 1
412 1 22 SER H 1 25 GLY HA3 2.976 . 4.083 3.542 3.398 3.675 . 0 0 "[ . 1 . 2]" 1
413 1 35 VAL H 1 35 VAL HB 2.431 . 3.170 2.906 2.553 3.245 0.075 15 0 "[ . 1 . 2]" 1
414 1 64 VAL HB 1 79 CYS HB3 2.296 . 2.955 1.943 1.780 2.112 . 0 0 "[ . 1 . 2]" 1
415 1 64 VAL HB 1 65 CYS H 2.487 . 3.260 2.272 2.070 2.563 . 0 0 "[ . 1 . 2]" 1
416 1 30 ASP HA 1 33 GLY HA2 2.963 . 4.061 3.872 3.578 4.076 0.015 8 0 "[ . 1 . 2]" 1
417 1 30 ASP HA 1 30 ASP HB3 2.275 . 2.922 3.026 3.018 3.031 0.109 10 0 "[ . 1 . 2]" 1
418 1 30 ASP HA 1 30 ASP HB2 2.346 . 3.034 2.495 2.416 2.569 . 0 0 "[ . 1 . 2]" 1
419 1 30 ASP H 1 30 ASP HA 2.338 . 3.021 2.829 2.804 2.842 . 0 0 "[ . 1 . 2]" 1
420 1 30 ASP HA 1 31 GLU H 2.609 . 3.460 3.469 3.450 3.489 0.029 15 0 "[ . 1 . 2]" 1
421 1 80 LEU HA 1 81 PRO HD3 2.042 . 2.563 1.796 1.762 1.823 . 0 0 "[ . 1 . 2]" 1
422 1 80 LEU HA 1 81 PRO HG3 3.213 . 4.504 3.956 3.908 3.992 . 0 0 "[ . 1 . 2]" 1
423 1 80 LEU HA 1 80 LEU HB3 2.241 . 2.869 2.448 2.433 2.482 . 0 0 "[ . 1 . 2]" 1
424 1 42 LEU MD1 1 80 LEU HA 2.635 . 3.503 2.795 2.643 3.005 . 0 0 "[ . 1 . 2]" 1
425 1 75 ILE HA 1 76 ALA MB 3.209 . 4.496 3.850 3.792 3.891 . 0 0 "[ . 1 . 2]" 1
426 1 75 ILE HA 1 75 ILE HB 2.378 . 3.085 2.441 2.405 2.485 . 0 0 "[ . 1 . 2]" 1
427 1 75 ILE HA 1 75 ILE HG13 2.733 . 3.667 3.585 3.535 3.612 . 0 0 "[ . 1 . 2]" 1
428 1 75 ILE HA 1 75 ILE MG 2.184 . 2.780 2.331 2.276 2.383 . 0 0 "[ . 1 . 2]" 1
429 1 75 ILE HA 1 76 ALA H 2.012 . 2.518 2.486 2.392 2.539 0.021 2 0 "[ . 1 . 2]" 1
430 1 75 ILE H 1 75 ILE HA 2.707 . 3.623 2.906 2.849 2.930 . 0 0 "[ . 1 . 2]" 1
431 1 45 ASP HA 1 75 ILE HA 2.567 . 3.391 2.346 1.972 2.741 . 0 0 "[ . 1 . 2]" 1
432 1 45 ASP HA 1 75 ILE MG 2.555 . 3.371 2.136 1.961 2.408 . 0 0 "[ . 1 . 2]" 1
433 1 45 ASP H 1 45 ASP HA 2.677 . 3.573 2.892 2.873 2.947 . 0 0 "[ . 1 . 2]" 1
434 1 45 ASP HA 1 46 GLY H 2.109 . 2.665 2.237 2.178 2.304 . 0 0 "[ . 1 . 2]" 1
435 1 73 GLY HA3 1 74 VAL H 2.554 . 3.369 2.914 2.888 2.946 . 0 0 "[ . 1 . 2]" 1
436 1 19 PRO HG2 1 42 LEU MD2 3.142 . 4.376 3.791 3.648 3.913 . 0 0 "[ . 1 . 2]" 1
437 1 19 PRO HG2 1 22 SER HB3 3.038 . 4.192 3.835 3.692 3.966 . 0 0 "[ . 1 . 2]" 1
438 1 66 CYS HB2 1 76 ALA MB 2.717 . 3.639 2.952 2.634 3.478 . 0 0 "[ . 1 . 2]" 1
439 1 66 CYS HB2 1 67 SER H 3.068 . 4.245 4.194 3.892 4.340 0.095 12 0 "[ . 1 . 2]" 1
440 1 66 CYS H 1 66 CYS HB2 2.723 . 3.650 2.329 2.218 2.627 . 0 0 "[ . 1 . 2]" 1
441 1 66 CYS HA 1 66 CYS HB2 2.827 . 3.826 2.954 2.700 3.017 . 0 0 "[ . 1 . 2]" 1
442 1 21 ASP HB3 1 39 PRO HB2 3.044 . 4.202 2.793 1.966 3.822 . 0 0 "[ . 1 . 2]" 1
443 1 56 SER HA 1 56 SER HB2 2.318 . 2.990 2.810 2.479 3.027 0.037 11 0 "[ . 1 . 2]" 1
444 1 56 SER HA 1 56 SER HB3 2.312 . 2.980 2.524 2.317 3.027 0.047 13 0 "[ . 1 . 2]" 1
445 1 2 SER HA 1 3 TRP H 2.702 . 3.615 2.658 2.137 3.582 . 0 0 "[ . 1 . 2]" 1
446 1 77 ILE HA 1 77 ILE HG12 2.529 . 3.328 2.531 2.486 2.582 . 0 0 "[ . 1 . 2]" 1
447 1 77 ILE HA 1 77 ILE HB 2.759 . 3.711 3.022 3.019 3.025 . 0 0 "[ . 1 . 2]" 1
448 1 77 ILE HA 1 77 ILE HG13 2.747 . 3.690 3.031 3.008 3.061 . 0 0 "[ . 1 . 2]" 1
449 1 77 ILE HA 1 77 ILE MG 2.157 . 2.739 2.400 2.356 2.430 . 0 0 "[ . 1 . 2]" 1
450 1 82 VAL HA 1 82 VAL MG1 2.233 . 2.856 2.265 2.214 2.291 . 0 0 "[ . 1 . 2]" 1
451 1 82 VAL HA 1 82 VAL HB 2.275 . 2.922 2.541 2.515 2.604 . 0 0 "[ . 1 . 2]" 1
452 1 43 ILE HA 1 77 ILE HA 2.418 . 3.149 2.621 2.541 2.731 . 0 0 "[ . 1 . 2]" 1
453 1 77 ILE H 1 77 ILE HA 2.778 . 3.743 2.948 2.943 2.952 . 0 0 "[ . 1 . 2]" 1
454 1 82 VAL HA 1 83 THR H 2.059 . 2.589 2.300 2.141 2.388 . 0 0 "[ . 1 . 2]" 1
455 1 32 LEU HA 1 32 LEU HG 2.650 . 3.528 2.972 2.890 3.057 . 0 0 "[ . 1 . 2]" 1
456 1 32 LEU HA 1 32 LEU HB2 2.558 . 3.376 3.002 2.995 3.009 . 0 0 "[ . 1 . 2]" 1
457 1 32 LEU HA 1 32 LEU HB3 2.320 . 2.993 2.539 2.496 2.563 . 0 0 "[ . 1 . 2]" 1
458 1 32 LEU HA 1 33 GLY H 2.916 . 3.979 3.369 3.266 3.428 . 0 0 "[ . 1 . 2]" 1
459 1 32 LEU H 1 32 LEU HA 2.607 . 3.457 2.910 2.861 2.939 . 0 0 "[ . 1 . 2]" 1
460 1 30 ASP HB2 1 31 GLU H 2.656 . 3.538 3.843 3.786 3.887 0.349 7 0 "[ . 1 . 2]" 1
461 1 73 GLY HA2 1 74 VAL H 2.764 . 3.719 3.524 3.503 3.558 . 0 0 "[ . 1 . 2]" 1
462 1 83 THR H 1 83 THR HA 2.749 . 3.694 2.813 2.254 2.943 . 0 0 "[ . 1 . 2]" 1
463 1 8 THR HA 1 9 GLY H 2.591 . 3.430 3.341 3.030 3.484 0.054 5 0 "[ . 1 . 2]" 1
464 1 6 CYS QB 1 11 ILE MG 3.042 . 4.199 4.064 3.813 4.153 . 0 0 "[ . 1 . 2]" 1
465 1 67 SER H 1 67 SER HA 2.351 . 3.042 2.894 2.855 2.928 . 0 0 "[ . 1 . 2]" 1
466 1 83 THR HA 1 84 LEU H 1.960 . 2.440 2.240 2.093 2.693 0.253 16 0 "[ . 1 . 2]" 1
467 1 24 LEU HB2 1 24 LEU QD 2.538 . 3.273 2.318 2.255 2.349 . 0 0 "[ . 1 . 2]" 1
468 1 18 VAL MG2 1 24 LEU HB2 3.031 . 4.180 4.009 3.636 4.195 0.015 4 0 "[ . 1 . 2]" 1
469 1 14 CYS HA 1 14 CYS HB2 2.592 . 3.432 3.007 2.998 3.015 . 0 0 "[ . 1 . 2]" 1
470 1 41 VAL MG2 1 78 GLY QA 2.791 . 3.363 2.958 2.840 3.057 . 0 0 "[ . 1 . 2]" 1
471 1 41 VAL HB 1 78 GLY QA 2.788 . 3.247 1.933 1.811 2.084 0.005 11 0 "[ . 1 . 2]" 1
472 1 77 ILE MG 1 78 GLY QA 2.887 . 3.913 2.986 2.875 3.080 . 0 0 "[ . 1 . 2]" 1
473 1 67 SER H 1 78 GLY QA 3.076 . 4.259 3.038 2.797 3.411 . 0 0 "[ . 1 . 2]" 1
474 1 78 GLY QA 1 79 CYS H 2.873 . 3.483 2.587 2.552 2.644 . 0 0 "[ . 1 . 2]" 1
475 1 78 GLY H 1 78 GLY QA 2.527 . 3.091 2.222 2.207 2.238 . 0 0 "[ . 1 . 2]" 1
476 1 18 VAL HA 1 18 VAL HB 2.225 . 2.844 2.507 2.482 2.541 . 0 0 "[ . 1 . 2]" 1
477 1 18 VAL HA 1 19 PRO HG3 3.135 . 4.363 4.173 4.127 4.212 . 0 0 "[ . 1 . 2]" 1
478 1 17 VAL MG1 1 18 VAL HA 2.812 . 3.801 3.698 3.595 3.784 . 0 0 "[ . 1 . 2]" 1
479 1 18 VAL H 1 18 VAL HA 2.682 . 3.581 2.941 2.936 2.944 . 0 0 "[ . 1 . 2]" 1
480 1 8 THR HA 1 8 THR MG 2.213 . 2.825 2.301 2.218 2.454 . 0 0 "[ . 1 . 2]" 1
481 1 8 THR HB 1 8 THR MG 2.068 . 2.602 2.135 2.131 2.138 . 0 0 "[ . 1 . 2]" 1
482 1 21 ASP HA 1 21 ASP HB3 2.192 . 2.793 2.693 2.475 3.020 0.227 17 0 "[ . 1 . 2]" 1
483 1 21 ASP HA 1 21 ASP HB2 2.261 . 2.900 2.438 2.367 2.546 . 0 0 "[ . 1 . 2]" 1
484 1 21 ASP H 1 21 ASP HA 2.584 . 3.419 2.932 2.920 2.941 . 0 0 "[ . 1 . 2]" 1
485 1 21 ASP HA 1 22 SER H 2.798 . 3.777 3.193 3.093 3.292 . 0 0 "[ . 1 . 2]" 1
486 1 36 LEU QB 1 39 PRO HB3 2.989 . 4.106 3.045 2.332 3.270 . 0 0 "[ . 1 . 2]" 1
487 1 16 ASN QB 1 18 VAL MG1 2.675 . 3.569 3.202 2.500 3.479 . 0 0 "[ . 1 . 2]" 1
488 1 15 GLN HG3 1 16 ASN QB 3.112 . 4.322 2.432 2.232 2.784 . 0 0 "[ . 1 . 2]" 1
489 1 20 GLY HA2 1 43 ILE HG13 3.040 . 4.195 3.678 3.602 3.823 . 0 0 "[ . 1 . 2]" 1
490 1 20 GLY HA2 1 43 ILE HG12 2.870 . 3.900 2.411 2.303 2.487 . 0 0 "[ . 1 . 2]" 1
491 1 20 GLY HA2 1 29 LEU MD2 2.542 . 3.349 2.591 2.443 2.831 . 0 0 "[ . 1 . 2]" 1
492 1 20 GLY HA2 1 43 ILE MD 2.580 . 3.412 2.235 2.111 2.374 . 0 0 "[ . 1 . 2]" 1
493 1 20 GLY HA2 1 25 GLY HA3 2.588 . 3.425 2.796 2.653 2.897 . 0 0 "[ . 1 . 2]" 1
494 1 20 GLY H 1 20 GLY HA2 2.460 . 3.217 2.829 2.812 2.846 . 0 0 "[ . 1 . 2]" 1
495 1 49 PRO HB2 1 50 ILE H 3.021 . 4.162 3.917 3.638 4.074 . 0 0 "[ . 1 . 2]" 1
496 1 15 GLN HB3 1 15 GLN HG2 2.362 . 3.059 2.329 2.315 2.346 . 0 0 "[ . 1 . 2]" 1
497 1 31 GLU HB3 1 31 GLU HG3 2.497 . 3.277 2.793 2.388 3.001 . 0 0 "[ . 1 . 2]" 1
498 1 31 GLU H 1 31 GLU HB3 2.485 . 3.257 2.819 2.171 3.428 0.171 8 0 "[ . 1 . 2]" 1
499 1 31 GLU HB2 1 31 GLU HG3 2.323 . 2.997 2.436 2.355 2.992 . 0 0 "[ . 1 . 2]" 1
500 1 44 GLY HA3 1 76 ALA MB 2.629 . 3.493 2.597 2.507 2.649 . 0 0 "[ . 1 . 2]" 1
501 1 66 CYS HB3 1 76 ALA MB 2.553 . 3.368 3.325 2.856 3.698 0.330 2 0 "[ . 1 . 2]" 1
502 1 44 GLY H 1 76 ALA MB 2.644 . 3.518 2.633 2.524 2.807 . 0 0 "[ . 1 . 2]" 1
503 1 76 ALA H 1 76 ALA MB 2.071 . 2.607 2.627 2.585 2.645 0.038 13 0 "[ . 1 . 2]" 1
504 1 76 ALA HA 1 76 ALA MB 2.054 . 2.581 2.136 2.133 2.144 . 0 0 "[ . 1 . 2]" 1
505 1 31 GLU HA 1 31 GLU HG3 2.747 . 3.690 2.866 2.371 3.648 . 0 0 "[ . 1 . 2]" 1
506 1 31 GLU HA 1 31 GLU HB2 2.230 . 2.852 2.671 2.348 2.969 0.117 8 0 "[ . 1 . 2]" 1
507 1 31 GLU HA 1 31 GLU HB3 2.371 . 3.074 2.931 2.635 3.011 . 0 0 "[ . 1 . 2]" 1
508 1 31 GLU H 1 31 GLU HA 2.332 . 3.012 2.855 2.826 2.885 . 0 0 "[ . 1 . 2]" 1
509 1 31 GLU HA 1 32 LEU H 2.939 . 4.018 3.406 3.329 3.512 . 0 0 "[ . 1 . 2]" 1
510 1 69 ASN HA 1 69 ASN HB2 2.593 . 3.434 2.748 2.411 3.029 . 0 0 "[ . 1 . 2]" 1
511 1 58 ALA HA 1 59 CYS H 2.484 . 3.255 3.248 3.012 3.461 0.206 6 0 "[ . 1 . 2]" 1
512 1 58 ALA H 1 58 ALA HA 2.581 . 3.414 2.901 2.787 2.949 . 0 0 "[ . 1 . 2]" 1
513 1 72 SER HA 1 75 ILE MD 3.137 . 4.367 4.128 3.997 4.335 . 0 0 "[ . 1 . 2]" 1
514 1 72 SER HA 1 72 SER QB 2.166 . 2.752 2.250 2.194 2.430 . 0 0 "[ . 1 . 2]" 1
515 1 72 SER H 1 72 SER HA 2.552 . 3.366 2.890 2.851 2.919 . 0 0 "[ . 1 . 2]" 1
516 1 24 LEU HA 1 24 LEU HG 2.931 . 4.005 3.432 2.642 3.640 . 0 0 "[ . 1 . 2]" 1
517 1 24 LEU H 1 24 LEU HG 2.991 . 4.109 3.995 3.218 4.196 0.087 18 0 "[ . 1 . 2]" 1
518 1 16 ASN HA 1 16 ASN QB 2.473 . 2.859 2.490 2.150 2.530 . 0 0 "[ . 1 . 2]" 1
519 1 15 GLN HG3 1 16 ASN HA 3.140 . 4.373 4.027 3.847 4.175 . 0 0 "[ . 1 . 2]" 1
520 1 16 ASN HA 1 17 VAL MG2 3.095 . 4.293 3.848 3.586 4.027 . 0 0 "[ . 1 . 2]" 1
521 1 16 ASN HA 1 17 VAL H 1.966 . 2.449 2.185 2.151 2.272 . 0 0 "[ . 1 . 2]" 1
522 1 16 ASN H 1 16 ASN HA 2.610 . 3.462 2.938 2.916 2.950 . 0 0 "[ . 1 . 2]" 1
523 1 71 VAL HA 1 71 VAL HB 2.538 . 3.343 2.540 2.408 3.011 . 0 0 "[ . 1 . 2]" 1
524 1 71 VAL HA 1 75 ILE MD 3.421 . 4.884 2.832 2.231 3.243 . 0 0 "[ . 1 . 2]" 1
525 1 71 VAL HA 1 72 SER H 2.316 . 2.987 2.254 2.140 2.425 . 0 0 "[ . 1 . 2]" 1
526 1 65 CYS HB3 1 80 LEU HB2 2.941 . 4.023 2.754 2.650 2.912 . 0 0 "[ . 1 . 2]" 1
527 1 65 CYS HB3 1 82 VAL MG1 2.814 . 3.804 3.058 2.679 3.353 . 0 0 "[ . 1 . 2]" 1
528 1 65 CYS H 1 65 CYS HB3 2.540 . 3.346 2.640 2.438 2.776 . 0 0 "[ . 1 . 2]" 1
529 1 69 ASN HB3 1 69 ASN HD21 2.982 . 4.094 2.930 2.201 3.556 . 0 0 "[ . 1 . 2]" 1
530 1 63 ALA HA 1 64 VAL MG2 2.513 . 3.302 3.284 3.157 3.387 0.085 4 0 "[ . 1 . 2]" 1
531 1 63 ALA H 1 63 ALA HA 2.713 . 3.633 2.903 2.897 2.920 . 0 0 "[ . 1 . 2]" 1
532 1 63 ALA HA 1 64 VAL H 2.003 . 2.504 2.166 2.126 2.210 . 0 0 "[ . 1 . 2]" 1
533 1 60 SER HA 1 60 SER HB3 2.268 . 2.911 2.578 2.325 3.014 0.103 18 0 "[ . 1 . 2]" 1
534 1 60 SER HA 1 60 SER HB2 2.234 . 2.858 2.682 2.474 3.014 0.156 19 0 "[ . 1 . 2]" 1
535 1 60 SER HA 1 61 ALA H 2.769 . 3.727 3.358 3.083 3.549 . 0 0 "[ . 1 . 2]" 1
536 1 43 ILE HG13 1 43 ILE MG 2.685 . 3.586 3.199 3.195 3.205 . 0 0 "[ . 1 . 2]" 1
537 1 43 ILE H 1 43 ILE HG13 2.878 . 3.913 2.649 2.561 2.768 . 0 0 "[ . 1 . 2]" 1
538 1 71 VAL QG 1 76 ALA HA 3.022 . 4.163 2.261 1.934 2.649 . 0 0 "[ . 1 . 2]" 1
539 1 76 ALA HA 1 77 ILE H 2.052 . 2.578 2.286 2.260 2.330 . 0 0 "[ . 1 . 2]" 1
540 1 39 PRO HA 1 39 PRO HD3 2.899 . 3.949 3.623 3.546 3.699 . 0 0 "[ . 1 . 2]" 1
541 1 39 PRO HA 1 39 PRO HB3 2.054 . 2.582 2.303 2.290 2.311 . 0 0 "[ . 1 . 2]" 1
542 1 39 PRO HA 1 39 PRO HB2 2.337 . 3.019 2.717 2.702 2.740 . 0 0 "[ . 1 . 2]" 1
543 1 36 LEU QB 1 39 PRO HA 2.426 . 3.161 2.535 2.262 2.750 . 0 0 "[ . 1 . 2]" 1
544 1 36 LEU QD 1 39 PRO HA 2.145 . 2.720 2.285 2.003 2.585 . 0 0 "[ . 1 . 2]" 1
545 1 43 ILE HA 1 43 ILE HB 2.349 . 3.039 2.535 2.509 2.556 . 0 0 "[ . 1 . 2]" 1
546 1 43 ILE HA 1 43 ILE MG 2.171 . 2.760 2.248 2.222 2.279 . 0 0 "[ . 1 . 2]" 1
547 1 42 LEU HA 1 43 ILE HA 3.102 . 4.304 4.354 4.349 4.358 0.054 9 0 "[ . 1 . 2]" 1
548 1 43 ILE HA 1 44 GLY H 2.149 . 2.726 2.180 2.138 2.240 . 0 0 "[ . 1 . 2]" 1
549 1 43 ILE H 1 43 ILE HA 2.668 . 3.558 2.932 2.928 2.939 . 0 0 "[ . 1 . 2]" 1
550 1 43 ILE HA 1 78 GLY H 2.733 . 3.667 3.189 2.831 3.413 . 0 0 "[ . 1 . 2]" 1
551 1 43 ILE HA 1 44 GLY HA2 3.186 . 4.455 4.325 4.304 4.347 . 0 0 "[ . 1 . 2]" 1
552 1 63 ALA MB 1 82 VAL MG2 2.033 . 2.550 2.140 2.027 2.258 . 0 0 "[ . 1 . 2]" 1
553 1 63 ALA MB 1 64 VAL H 2.548 . 3.359 2.989 2.824 3.102 . 0 0 "[ . 1 . 2]" 1
554 1 63 ALA HA 1 63 ALA MB 2.052 . 2.578 2.132 2.128 2.138 . 0 0 "[ . 1 . 2]" 1
555 1 34 ILE HA 1 34 ILE HB 2.616 . 3.471 3.019 3.011 3.028 . 0 0 "[ . 1 . 2]" 1
556 1 34 ILE HA 1 34 ILE QG 2.639 . 3.224 2.521 2.425 2.607 . 0 0 "[ . 1 . 2]" 1
557 1 34 ILE HA 1 34 ILE MG 2.232 . 2.855 2.318 2.277 2.390 . 0 0 "[ . 1 . 2]" 1
558 1 34 ILE HA 1 35 VAL H 1.957 . 2.436 2.177 2.138 2.225 . 0 0 "[ . 1 . 2]" 1
559 1 34 ILE H 1 34 ILE HA 2.741 . 3.680 2.918 2.869 2.951 . 0 0 "[ . 1 . 2]" 1
560 1 2 SER HA 1 2 SER HB2 2.142 . 2.715 2.719 2.480 3.032 0.317 7 0 "[ . 1 . 2]" 1
561 1 74 VAL H 1 74 VAL HB 2.847 . 3.860 3.904 3.874 3.926 0.066 12 0 "[ . 1 . 2]" 1
562 1 16 ASN QB 1 45 ASP HB3 2.278 . 2.926 2.012 1.691 3.081 0.155 8 0 "[ . 1 . 2]" 1
563 1 45 ASP H 1 45 ASP HB3 2.292 . 2.949 2.532 2.357 2.752 . 0 0 "[ . 1 . 2]" 1
564 1 16 ASN HD21 1 45 ASP HB3 2.800 . 3.780 3.378 2.318 3.811 0.031 13 0 "[ . 1 . 2]" 1
565 1 18 VAL MG2 1 25 GLY HA3 2.556 . 3.373 2.529 2.423 2.627 . 0 0 "[ . 1 . 2]" 1
566 1 18 VAL MG2 1 43 ILE HG13 2.583 . 3.417 2.023 1.981 2.086 . 0 0 "[ . 1 . 2]" 1
567 1 18 VAL MG2 1 43 ILE HG12 2.613 . 3.467 3.076 2.899 3.296 . 0 0 "[ . 1 . 2]" 1
568 1 18 VAL HB 1 18 VAL MG2 2.161 . 2.745 2.130 2.128 2.134 . 0 0 "[ . 1 . 2]" 1
569 1 18 VAL H 1 18 VAL MG2 2.194 . 2.796 2.154 2.128 2.182 . 0 0 "[ . 1 . 2]" 1
570 1 34 ILE MG 1 35 VAL H 2.341 . 3.026 2.500 2.250 2.748 . 0 0 "[ . 1 . 2]" 1
571 1 50 ILE HA 1 50 ILE MG 2.254 . 2.889 2.309 2.259 2.354 . 0 0 "[ . 1 . 2]" 1
572 1 50 ILE HB 1 50 ILE MG 2.007 . 2.511 2.131 2.129 2.133 . 0 0 "[ . 1 . 2]" 1
573 1 75 ILE HB 1 75 ILE MG 2.040 . 2.560 2.115 2.111 2.120 . 0 0 "[ . 1 . 2]" 1
574 1 34 ILE HB 1 34 ILE MG 1.966 . 2.449 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
575 1 18 VAL MG1 1 18 VAL MG2 1.940 . 2.411 2.083 2.076 2.088 . 0 0 "[ . 1 . 2]" 1
576 1 25 GLY HA3 1 43 ILE MD 2.773 . 3.734 2.456 2.327 2.629 . 0 0 "[ . 1 . 2]" 1
577 1 34 ILE MD 1 72 SER QB 2.732 . 3.665 3.260 2.674 3.583 . 0 0 "[ . 1 . 2]" 1
578 1 29 LEU HB3 1 43 ILE MD 2.368 . 3.069 2.439 2.340 2.550 . 0 0 "[ . 1 . 2]" 1
579 1 29 LEU HB2 1 43 ILE MD 2.732 . 3.665 3.730 3.692 3.780 0.115 5 0 "[ . 1 . 2]" 1
580 1 75 ILE HB 1 75 ILE MD 2.332 . 3.011 2.297 2.238 2.345 . 0 0 "[ . 1 . 2]" 1
581 1 29 LEU HB2 1 34 ILE MD 2.480 . 3.249 2.205 2.066 2.544 . 0 0 "[ . 1 . 2]" 1
582 1 34 ILE HB 1 34 ILE MD 2.141 . 2.714 2.407 2.383 2.465 . 0 0 "[ . 1 . 2]" 1
583 1 42 LEU MD1 1 81 PRO HD3 2.282 . 2.933 2.102 2.025 2.172 . 0 0 "[ . 1 . 2]" 1
584 1 42 LEU QB 1 42 LEU MD1 2.205 . 2.813 2.097 2.091 2.100 . 0 0 "[ . 1 . 2]" 1
585 1 42 LEU MD1 1 42 LEU HG 2.039 . 2.559 2.127 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
586 1 64 VAL MG2 1 79 CYS HB3 2.420 . 3.152 2.879 2.499 3.162 0.010 10 0 "[ . 1 . 2]" 1
587 1 12 GLN HB2 1 64 VAL MG2 2.623 . 3.483 3.560 3.489 3.622 0.139 9 0 "[ . 1 . 2]" 1
588 1 64 VAL HB 1 64 VAL MG2 2.153 . 2.732 2.126 2.124 2.128 . 0 0 "[ . 1 . 2]" 1
589 1 12 GLN QG 1 64 VAL MG2 2.279 . 2.928 2.125 1.823 2.442 . 0 0 "[ . 1 . 2]" 1
590 1 64 VAL H 1 64 VAL MG2 2.073 . 2.610 2.208 2.159 2.240 . 0 0 "[ . 1 . 2]" 1
591 1 71 VAL QG 1 75 ILE HG13 2.410 . 3.136 2.875 1.954 3.185 0.049 16 0 "[ . 1 . 2]" 1
592 1 71 VAL HB 1 71 VAL QG 1.874 . 2.313 1.893 1.880 1.897 . 0 0 "[ . 1 . 2]" 1
593 1 71 VAL HA 1 71 VAL QG 2.022 . 2.533 2.255 2.114 2.324 . 0 0 "[ . 1 . 2]" 1
594 1 71 VAL H 1 71 VAL QG 2.356 . 3.050 1.987 1.801 2.774 . 0 0 "[ . 1 . 2]" 1
595 1 52 VAL H 1 52 VAL MG2 2.754 . 3.702 3.824 3.755 3.982 0.280 9 0 "[ . 1 . 2]" 1
596 1 80 LEU MD2 1 81 PRO HD2 2.482 . 3.252 3.283 3.110 3.316 0.064 16 0 "[ . 1 . 2]" 1
597 1 24 LEU HA 1 24 LEU QD 2.082 . 2.624 1.869 1.830 1.961 . 0 0 "[ . 1 . 2]" 1
598 1 80 LEU HA 1 80 LEU MD2 2.061 . 2.592 2.048 2.006 2.091 . 0 0 "[ . 1 . 2]" 1
599 1 28 LEU HA 1 28 LEU MD1 2.763 . 3.717 3.734 3.699 3.767 0.050 6 0 "[ . 1 . 2]" 1
600 1 25 GLY HA2 1 28 LEU MD1 2.738 . 3.675 2.756 2.544 2.977 . 0 0 "[ . 1 . 2]" 1
601 1 28 LEU MD1 1 45 ASP HB3 2.244 . 2.874 3.099 2.665 3.713 0.839 12 6 "[ * .* **+ . -]" 1
602 1 28 LEU HB2 1 28 LEU MD1 2.255 . 2.891 2.488 2.459 2.514 . 0 0 "[ . 1 . 2]" 1
603 1 28 LEU HB3 1 28 LEU MD1 2.321 . 2.994 2.247 2.231 2.258 . 0 0 "[ . 1 . 2]" 1
604 1 28 LEU MD1 1 28 LEU HG 2.199 . 2.803 2.121 2.118 2.123 . 0 0 "[ . 1 . 2]" 1
605 1 64 VAL MG1 1 79 CYS HB3 2.411 . 3.137 2.734 2.470 3.183 0.046 16 0 "[ . 1 . 2]" 1
606 1 64 VAL HB 1 64 VAL MG1 2.118 . 2.679 2.130 2.127 2.133 . 0 0 "[ . 1 . 2]" 1
607 1 64 VAL MG1 1 82 VAL H 2.714 . 3.635 3.239 3.132 3.379 . 0 0 "[ . 1 . 2]" 1
608 1 64 VAL HA 1 64 VAL MG1 2.114 . 2.673 2.283 2.263 2.322 . 0 0 "[ . 1 . 2]" 1
609 1 75 ILE HG13 1 75 ILE MG 2.257 . 2.894 3.140 3.087 3.160 0.266 3 0 "[ . 1 . 2]" 1
610 1 50 ILE HG13 1 50 ILE MG 2.156 . 2.737 3.181 3.174 3.188 0.451 8 0 "[ . 1 . 2]" 1
611 1 75 ILE HG12 1 75 ILE MG 2.128 . 2.694 2.233 2.156 2.276 . 0 0 "[ . 1 . 2]" 1
612 1 50 ILE MG 1 51 THR H 2.828 . 3.828 3.330 2.986 3.467 . 0 0 "[ . 1 . 2]" 1
613 1 41 VAL MG1 1 78 GLY QA 2.687 . 3.590 2.940 2.794 3.094 . 0 0 "[ . 1 . 2]" 1
614 1 38 ASP HB2 1 41 VAL MG1 2.504 . 3.288 2.981 2.106 3.808 0.520 8 2 "[ . + 1 -. 2]" 1
615 1 41 VAL HB 1 41 VAL MG1 2.005 . 2.508 2.123 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
616 1 41 VAL H 1 41 VAL MG1 2.100 . 2.651 2.345 2.134 2.552 . 0 0 "[ . 1 . 2]" 1
617 1 36 LEU QB 1 36 LEU QD 2.365 . 2.867 1.889 1.877 1.898 . 0 0 "[ . 1 . 2]" 1
618 1 28 LEU HA 1 28 LEU MD2 2.001 . 2.502 2.063 2.028 2.113 . 0 0 "[ . 1 . 2]" 1
619 1 28 LEU MD2 1 28 LEU HG 2.132 . 2.700 2.119 2.116 2.122 . 0 0 "[ . 1 . 2]" 1
620 1 28 LEU HB3 1 28 LEU MD2 2.273 . 2.919 2.558 2.534 2.588 . 0 0 "[ . 1 . 2]" 1
621 1 36 LEU QD 1 36 LEU HG 2.031 . 2.464 1.889 1.883 1.892 . 0 0 "[ . 1 . 2]" 1
622 1 27 LEU HA 1 27 LEU MD2 2.327 . 3.004 2.020 1.887 3.435 0.431 6 0 "[ . 1 . 2]" 1
623 1 27 LEU MD2 1 27 LEU HG 2.066 . 2.600 2.122 2.114 2.124 . 0 0 "[ . 1 . 2]" 1
624 1 77 ILE MD 1 77 ILE HG13 2.155 . 2.735 2.118 2.114 2.120 . 0 0 "[ . 1 . 2]" 1
625 1 77 ILE HB 1 77 ILE MD 2.392 . 3.107 2.429 2.405 2.442 . 0 0 "[ . 1 . 2]" 1
626 1 29 LEU MD1 1 34 ILE HB 2.220 . 2.836 2.837 2.719 2.894 0.058 6 0 "[ . 1 . 2]" 1
627 1 29 LEU MD1 1 29 LEU HG 2.040 . 2.560 2.130 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
628 1 29 LEU HB2 1 29 LEU MD1 2.141 . 2.714 2.286 2.210 2.318 . 0 0 "[ . 1 . 2]" 1
629 1 11 ILE HB 1 11 ILE MG 2.017 . 2.525 2.131 2.126 2.134 . 0 0 "[ . 1 . 2]" 1
630 1 52 VAL HB 1 52 VAL MG1 2.274 . 2.920 2.126 2.124 2.129 . 0 0 "[ . 1 . 2]" 1
631 1 35 VAL H 1 35 VAL QG 2.353 . 3.045 2.171 1.842 2.648 . 0 0 "[ . 1 . 2]" 1
632 1 83 THR MG 1 84 LEU QD 2.380 . 3.088 2.592 1.790 2.848 . 0 0 "[ . 1 . 2]" 1
633 1 35 VAL QG 1 36 LEU H 2.450 . 3.200 3.042 2.703 3.198 . 0 0 "[ . 1 . 2]" 1
634 1 43 ILE HB 1 75 ILE MD 2.905 . 3.960 3.904 3.536 4.015 0.055 7 0 "[ . 1 . 2]" 1
635 1 75 ILE MD 1 75 ILE HG13 2.119 . 2.680 2.118 2.114 2.125 . 0 0 "[ . 1 . 2]" 1
636 1 75 ILE MD 1 75 ILE HG12 2.236 . 2.861 2.114 2.111 2.116 . 0 0 "[ . 1 . 2]" 1
637 1 34 ILE MD 1 34 ILE QG 1.984 . 2.476 1.886 1.884 1.887 . 0 0 "[ . 1 . 2]" 1
638 1 34 ILE H 1 34 ILE MD 2.995 . 4.117 3.662 3.597 3.754 . 0 0 "[ . 1 . 2]" 1
639 1 50 ILE HA 1 50 ILE MD 2.876 . 3.910 3.846 3.811 3.897 . 0 0 "[ . 1 . 2]" 1
640 1 50 ILE MD 1 59 CYS QB 2.415 . 3.144 2.406 2.123 3.113 . 0 0 "[ . 1 . 2]" 1
641 1 13 CYS QB 1 50 ILE MD 2.503 . 3.286 2.036 1.889 2.180 . 0 0 "[ . 1 . 2]" 1
642 1 50 ILE HB 1 50 ILE MD 2.328 . 3.006 2.432 2.375 2.462 . 0 0 "[ . 1 . 2]" 1
643 1 50 ILE MD 1 50 ILE HG13 2.112 . 2.669 2.120 2.116 2.123 . 0 0 "[ . 1 . 2]" 1
644 1 50 ILE MD 1 63 ALA MB 2.380 . 3.088 2.742 2.413 3.035 . 0 0 "[ . 1 . 2]" 1
645 1 50 ILE MD 1 50 ILE HG12 2.243 . 2.872 2.118 2.115 2.121 . 0 0 "[ . 1 . 2]" 1
646 1 77 ILE HG12 1 77 ILE MG 2.348 . 3.037 2.389 2.374 2.406 . 0 0 "[ . 1 . 2]" 1
647 1 77 ILE MD 1 77 ILE HG12 2.140 . 2.712 2.117 2.115 2.119 . 0 0 "[ . 1 . 2]" 1
648 1 77 ILE HB 1 77 ILE HG12 2.701 . 3.613 3.027 3.024 3.029 . 0 0 "[ . 1 . 2]" 1
649 1 11 ILE HB 1 11 ILE MD 2.355 . 3.048 2.469 2.300 2.542 . 0 0 "[ . 1 . 2]" 1
650 1 11 ILE MD 1 11 ILE HG13 2.187 . 2.785 2.118 2.113 2.120 . 0 0 "[ . 1 . 2]" 1
651 1 18 VAL HA 1 18 VAL MG2 2.724 . 3.652 3.206 3.199 3.213 . 0 0 "[ . 1 . 2]" 1
652 1 11 ILE MD 1 11 ILE HG12 2.302 . 2.965 2.113 2.108 2.116 . 0 0 "[ . 1 . 2]" 1
653 1 11 ILE HG12 1 11 ILE MG 2.504 . 3.287 2.415 2.175 2.486 . 0 0 "[ . 1 . 2]" 1
654 1 11 ILE HB 1 11 ILE HG12 2.705 . 3.620 2.970 2.560 3.019 . 0 0 "[ . 1 . 2]" 1
655 1 74 VAL HA 1 74 VAL MG2 2.382 . 3.091 3.195 3.189 3.202 0.111 10 0 "[ . 1 . 2]" 1
656 1 46 GLY HA2 1 74 VAL MG2 2.653 . 3.533 3.208 2.593 3.370 . 0 0 "[ . 1 . 2]" 1
657 1 74 VAL HB 1 74 VAL MG2 2.043 . 2.565 2.119 2.114 2.121 . 0 0 "[ . 1 . 2]" 1
658 1 74 VAL H 1 74 VAL MG2 2.235 . 2.860 2.368 2.289 2.485 . 0 0 "[ . 1 . 2]" 1
659 1 32 LEU HB2 1 32 LEU MD1 2.227 . 2.847 2.313 2.271 2.352 . 0 0 "[ . 1 . 2]" 1
660 1 17 VAL MG2 1 62 THR HB 2.208 . 2.818 2.126 1.979 2.397 . 0 0 "[ . 1 . 2]" 1
661 1 82 VAL HB 1 82 VAL MG1 2.079 . 2.619 2.130 2.127 2.134 . 0 0 "[ . 1 . 2]" 1
662 1 14 CYS HB3 1 17 VAL MG2 2.390 . 3.104 2.538 2.366 2.766 . 0 0 "[ . 1 . 2]" 1
663 1 14 CYS HB2 1 17 VAL MG2 2.183 . 2.778 1.986 1.870 2.175 . 0 0 "[ . 1 . 2]" 1
664 1 17 VAL HB 1 17 VAL MG2 2.017 . 2.526 2.128 2.126 2.130 . 0 0 "[ . 1 . 2]" 1
665 1 17 VAL HA 1 17 VAL MG2 2.136 . 2.706 2.380 2.336 2.414 . 0 0 "[ . 1 . 2]" 1
666 1 17 VAL H 1 17 VAL MG2 2.400 . 3.120 2.553 2.379 2.890 . 0 0 "[ . 1 . 2]" 1
667 1 43 ILE MG 1 77 ILE HA 2.419 . 3.151 2.059 1.930 2.222 . 0 0 "[ . 1 . 2]" 1
668 1 43 ILE HB 1 43 ILE MG 2.063 . 2.595 2.124 2.123 2.127 . 0 0 "[ . 1 . 2]" 1
669 1 43 ILE HG12 1 43 ILE MG 2.205 . 2.813 2.357 2.335 2.379 . 0 0 "[ . 1 . 2]" 1
670 1 43 ILE MG 1 78 GLY H 2.564 . 3.386 2.991 2.719 3.232 . 0 0 "[ . 1 . 2]" 1
671 1 43 ILE MD 1 43 ILE HG12 2.299 . 2.960 2.119 2.116 2.122 . 0 0 "[ . 1 . 2]" 1
672 1 43 ILE HA 1 43 ILE MD 3.016 . 4.153 4.178 4.173 4.182 0.029 6 0 "[ . 1 . 2]" 1
673 1 17 VAL HB 1 17 VAL MG1 2.002 . 2.503 2.132 2.130 2.134 . 0 0 "[ . 1 . 2]" 1
674 1 42 LEU HA 1 42 LEU MD2 2.135 . 2.705 2.023 2.002 2.059 . 0 0 "[ . 1 . 2]" 1
675 1 19 PRO HD3 1 42 LEU MD2 2.526 . 3.323 2.924 2.736 3.163 . 0 0 "[ . 1 . 2]" 1
676 1 19 PRO HG3 1 42 LEU MD2 2.336 . 3.018 2.397 2.257 2.522 . 0 0 "[ . 1 . 2]" 1
677 1 42 LEU MD2 1 42 LEU HG 2.067 . 2.601 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
678 1 42 LEU MD2 1 43 ILE H 2.631 . 3.497 3.542 3.510 3.582 0.085 4 0 "[ . 1 . 2]" 1
679 1 17 VAL MG1 1 18 VAL H 2.398 . 3.117 3.133 3.071 3.192 0.075 1 0 "[ . 1 . 2]" 1
680 1 17 VAL HA 1 17 VAL MG1 2.171 . 2.760 2.398 2.376 2.432 . 0 0 "[ . 1 . 2]" 1
681 1 29 LEU MD1 1 29 LEU MD2 2.047 . 2.571 2.066 2.060 2.072 . 0 0 "[ . 1 . 2]" 1
682 1 26 THR HA 1 29 LEU MD2 2.463 . 3.221 2.659 2.347 2.894 . 0 0 "[ . 1 . 2]" 1
683 1 20 GLY HA3 1 29 LEU MD2 2.944 . 4.027 2.958 2.736 3.153 . 0 0 "[ . 1 . 2]" 1
684 1 29 LEU HB2 1 29 LEU MD2 2.285 . 2.937 2.456 2.421 2.503 . 0 0 "[ . 1 . 2]" 1
685 1 29 LEU MD2 1 34 ILE HB 2.338 . 3.021 3.131 3.071 3.173 0.152 2 0 "[ . 1 . 2]" 1
686 1 74 VAL HB 1 74 VAL MG1 2.042 . 2.563 2.122 2.112 2.126 . 0 0 "[ . 1 . 2]" 1
687 1 74 VAL H 1 74 VAL MG1 2.561 . 3.381 2.813 2.688 2.935 . 0 0 "[ . 1 . 2]" 1
688 1 84 LEU QD 1 84 LEU HG 2.024 . 2.536 1.891 1.889 1.894 . 0 0 "[ . 1 . 2]" 1
689 1 41 VAL HB 1 41 VAL MG2 2.039 . 2.559 2.127 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
690 1 41 VAL MG2 1 78 GLY H 2.529 . 3.328 2.731 2.431 3.127 . 0 0 "[ . 1 . 2]" 1
691 1 41 VAL H 1 41 VAL MG2 2.073 . 2.610 2.075 1.968 2.158 . 0 0 "[ . 1 . 2]" 1
692 1 77 ILE HB 1 77 ILE MG 2.012 . 2.518 2.130 2.128 2.131 . 0 0 "[ . 1 . 2]" 1
693 1 69 ASN HA 1 69 ASN HB3 2.464 . 3.223 2.600 2.384 3.028 . 0 0 "[ . 1 . 2]" 1
694 1 82 VAL HB 1 82 VAL MG2 2.133 . 2.701 2.120 2.114 2.124 . 0 0 "[ . 1 . 2]" 1
695 1 82 VAL MG2 1 83 THR H 2.820 . 3.814 3.764 3.629 3.961 0.147 16 0 "[ . 1 . 2]" 1
696 1 64 VAL H 1 82 VAL MG2 2.701 . 3.613 3.113 2.926 3.246 . 0 0 "[ . 1 . 2]" 1
697 1 82 VAL H 1 82 VAL MG2 2.255 . 2.891 2.068 1.937 2.177 . 0 0 "[ . 1 . 2]" 1
698 1 64 VAL HA 1 82 VAL MG2 2.518 . 3.310 2.055 1.972 2.164 . 0 0 "[ . 1 . 2]" 1
699 1 41 VAL MG1 1 42 LEU H 2.766 . 3.722 3.743 3.639 3.794 0.072 14 0 "[ . 1 . 2]" 1
700 1 27 LEU HA 1 27 LEU MD1 2.464 . 3.223 2.875 1.991 3.205 . 0 0 "[ . 1 . 2]" 1
701 1 27 LEU HB2 1 27 LEU MD1 2.266 . 2.908 3.140 2.110 3.209 0.301 10 0 "[ . 1 . 2]" 1
702 1 49 PRO HA 1 49 PRO HB3 2.281 . 2.931 2.273 2.241 2.293 . 0 0 "[ . 1 . 2]" 1
703 1 74 VAL HA 1 74 VAL MG1 2.134 . 2.703 2.448 2.418 2.480 . 0 0 "[ . 1 . 2]" 1
704 1 40 THR HA 1 40 THR MG 2.083 . 2.625 2.260 2.182 2.376 . 0 0 "[ . 1 . 2]" 1
705 1 50 ILE MG 1 51 THR HA 2.916 . 3.979 3.846 3.467 4.030 0.051 20 0 "[ . 1 . 2]" 1
706 1 51 THR HA 1 52 VAL H 2.340 . 3.025 3.050 2.879 3.134 0.109 4 0 "[ . 1 . 2]" 1
707 1 62 THR HA 1 63 ALA H 1.943 . 2.415 2.169 2.153 2.193 . 0 0 "[ . 1 . 2]" 1
708 1 49 PRO HA 1 50 ILE H 1.959 . 2.439 2.178 2.164 2.191 . 0 0 "[ . 1 . 2]" 1
709 1 21 ASP H 1 40 THR HA 2.948 . 4.034 3.730 3.396 4.081 0.047 18 0 "[ . 1 . 2]" 1
710 1 40 THR H 1 40 THR HA 2.593 . 3.434 2.909 2.865 2.947 . 0 0 "[ . 1 . 2]" 1
711 1 40 THR HA 1 41 VAL H 2.913 . 3.974 3.203 2.991 3.374 . 0 0 "[ . 1 . 2]" 1
712 1 39 PRO HA 1 41 VAL H 2.904 . 3.958 3.474 3.261 3.659 . 0 0 "[ . 1 . 2]" 1
713 1 12 GLN QG 1 47 CYS QB 3.147 . 4.385 3.028 2.802 4.059 . 0 0 "[ . 1 . 2]" 1
714 1 14 CYS HB3 1 15 GLN HA 3.315 . 4.689 4.750 4.709 4.819 0.130 4 0 "[ . 1 . 2]" 1
715 1 14 CYS HB2 1 62 THR HB 3.180 . 4.444 3.061 2.832 3.424 . 0 0 "[ . 1 . 2]" 1
716 1 32 LEU HA 1 32 LEU MD2 1.925 . 2.388 1.986 1.944 2.049 . 0 0 "[ . 1 . 2]" 1
717 1 11 ILE HA 1 11 ILE HB 2.742 . 3.682 3.016 3.011 3.022 . 0 0 "[ . 1 . 2]" 1
718 1 6 CYS QB 1 11 ILE HG12 3.113 . 4.325 2.392 2.128 2.879 . 0 0 "[ . 1 . 2]" 1
719 1 74 VAL HA 1 74 VAL HB 2.301 . 2.963 2.385 2.367 2.413 . 0 0 "[ . 1 . 2]" 1
720 1 12 GLN HA 1 12 GLN HB2 2.688 . 3.591 2.663 2.599 2.756 . 0 0 "[ . 1 . 2]" 1
721 1 68 ASP HA 1 68 ASP HB2 2.588 . 3.425 2.685 2.449 3.026 . 0 0 "[ . 1 . 2]" 1
722 1 68 ASP HA 1 68 ASP HB3 2.582 . 3.415 2.878 2.467 3.029 . 0 0 "[ . 1 . 2]" 1
723 1 18 VAL HA 1 18 VAL MG1 2.092 . 2.639 2.315 2.276 2.345 . 0 0 "[ . 1 . 2]" 1
724 1 50 ILE HG12 1 59 CYS QB 3.459 . 4.954 3.605 3.026 3.943 . 0 0 "[ . 1 . 2]" 1
725 1 61 ALA HA 1 61 ALA MB 2.038 . 2.557 2.126 2.117 2.137 . 0 0 "[ . 1 . 2]" 1
726 1 15 GLN HB3 1 61 ALA MB 2.943 . 4.025 3.991 3.815 4.121 0.096 18 0 "[ . 1 . 2]" 1
727 1 15 GLN HG3 1 61 ALA MB 3.356 . 4.764 4.834 4.790 4.898 0.134 12 0 "[ . 1 . 2]" 1
728 1 18 VAL MG2 1 43 ILE MD 2.526 . 3.323 2.774 2.653 2.989 . 0 0 "[ . 1 . 2]" 1
729 1 20 GLY HA3 1 43 ILE HG12 3.291 . 4.645 3.171 3.136 3.217 . 0 0 "[ . 1 . 2]" 1
730 1 43 ILE HA 1 43 ILE HG13 3.246 . 4.563 3.729 3.711 3.744 . 0 0 "[ . 1 . 2]" 1
731 1 43 ILE HA 1 43 ILE HG12 3.223 . 4.521 3.708 3.683 3.738 . 0 0 "[ . 1 . 2]" 1
732 1 11 ILE HA 1 65 CYS HA 2.453 . 3.205 2.188 2.041 2.317 . 0 0 "[ . 1 . 2]" 1
733 1 64 VAL HA 1 81 PRO HA 2.336 . 3.018 2.535 2.395 2.649 . 0 0 "[ . 1 . 2]" 1
734 1 16 ASN QB 1 18 VAL MG2 2.853 . 3.871 3.289 2.873 3.755 . 0 0 "[ . 1 . 2]" 1
735 1 18 VAL MG2 1 43 ILE H 3.104 . 4.308 3.499 3.436 3.549 . 0 0 "[ . 1 . 2]" 1
736 1 64 VAL MG1 1 81 PRO HB3 2.796 . 3.773 3.241 3.161 3.323 . 0 0 "[ . 1 . 2]" 1
737 1 64 VAL MG1 1 81 PRO HA 2.084 . 2.627 1.910 1.857 1.962 . 0 0 "[ . 1 . 2]" 1
738 1 62 THR HB 1 64 VAL MG1 3.066 . 4.241 3.544 3.264 3.795 . 0 0 "[ . 1 . 2]" 1
739 1 64 VAL MG1 1 81 PRO HD3 3.008 . 4.139 3.788 3.641 3.952 . 0 0 "[ . 1 . 2]" 1
740 1 11 ILE HA 1 11 ILE MD 2.769 . 3.727 3.666 3.137 3.774 0.047 11 0 "[ . 1 . 2]" 1
741 1 4 GLY HA3 1 11 ILE MD 3.105 . 4.310 3.276 2.012 5.163 0.853 11 3 "[ . * 1+ .- 2]" 1
742 1 11 ILE MD 1 12 GLN H 3.269 . 4.605 4.738 4.677 4.785 0.180 6 0 "[ . 1 . 2]" 1
743 1 11 ILE MD 1 65 CYS HA 3.223 . 4.522 4.482 4.124 4.617 0.095 13 0 "[ . 1 . 2]" 1
744 1 12 GLN HA 1 50 ILE MD 3.067 . 4.243 3.406 3.276 3.585 . 0 0 "[ . 1 . 2]" 1
745 1 50 ILE MD 1 63 ALA HA 3.039 . 4.193 2.869 2.556 3.144 . 0 0 "[ . 1 . 2]" 1
746 1 77 ILE H 1 77 ILE MD 2.946 . 4.031 4.055 4.013 4.107 0.076 7 0 "[ . 1 . 2]" 1
747 1 75 ILE MD 1 76 ALA H 3.198 . 4.477 3.408 3.181 3.642 . 0 0 "[ . 1 . 2]" 1
748 1 75 ILE H 1 75 ILE MD 3.183 . 4.450 3.829 3.752 3.888 . 0 0 "[ . 1 . 2]" 1
749 1 43 ILE MD 1 43 ILE HG13 2.212 . 2.824 2.121 2.119 2.123 . 0 0 "[ . 1 . 2]" 1
750 1 71 VAL HA 1 76 ALA HA 3.203 . 4.485 4.061 3.712 4.519 0.034 2 0 "[ . 1 . 2]" 1
751 1 76 ALA HA 1 77 ILE HG13 2.920 . 3.985 3.512 3.373 3.617 . 0 0 "[ . 1 . 2]" 1
752 1 63 ALA MB 1 82 VAL H 3.122 . 4.340 3.408 3.257 3.494 . 0 0 "[ . 1 . 2]" 1
753 1 62 THR HA 1 63 ALA MB 2.907 . 3.963 3.993 3.977 4.013 0.050 13 0 "[ . 1 . 2]" 1
754 1 63 ALA MB 1 82 VAL HB 2.854 . 3.872 3.969 3.900 4.026 0.154 4 0 "[ . 1 . 2]" 1
755 1 53 ALA MB 1 54 GLY H 3.101 . 4.303 2.952 1.958 3.712 . 0 0 "[ . 1 . 2]" 1
756 1 15 GLN HE22 1 61 ALA MB 2.987 . 4.103 4.158 4.090 4.228 0.125 11 0 "[ . 1 . 2]" 1
757 1 46 GLY H 1 74 VAL MG2 2.980 . 4.090 2.247 1.842 2.424 0.028 18 0 "[ . 1 . 2]" 1
758 1 74 VAL MG2 1 75 ILE H 2.700 . 3.611 2.838 2.576 3.129 . 0 0 "[ . 1 . 2]" 1
759 1 65 CYS HB2 1 82 VAL MG2 2.696 . 3.604 2.999 2.755 3.240 . 0 0 "[ . 1 . 2]" 1
760 1 65 CYS HB3 1 82 VAL MG2 2.844 . 3.855 3.863 3.781 3.927 0.072 16 0 "[ . 1 . 2]" 1
761 1 82 VAL HA 1 82 VAL MG2 2.467 . 3.227 3.196 3.164 3.207 . 0 0 "[ . 1 . 2]" 1
762 1 44 GLY HA2 1 76 ALA MB 2.918 . 3.983 4.077 4.007 4.120 0.137 20 0 "[ . 1 . 2]" 1
763 1 12 GLN QE 1 76 ALA MB 3.093 . 4.289 3.850 3.587 3.954 . 0 0 "[ . 1 . 2]" 1
764 1 48 ASP HA 1 49 PRO HG3 3.284 . 4.632 4.107 4.015 4.336 . 0 0 "[ . 1 . 2]" 1
765 1 49 PRO HA 1 49 PRO HG3 3.140 . 4.372 3.240 3.051 3.912 . 0 0 "[ . 1 . 2]" 1
766 1 49 PRO HA 1 49 PRO HB2 2.409 . 3.134 2.927 2.731 2.971 . 0 0 "[ . 1 . 2]" 1
767 1 65 CYS HB2 1 80 LEU HB2 3.100 . 4.301 4.345 4.315 4.395 0.094 16 0 "[ . 1 . 2]" 1
768 1 16 ASN HA 1 18 VAL MG1 3.126 . 4.347 3.961 3.587 4.338 . 0 0 "[ . 1 . 2]" 1
769 1 11 ILE HA 1 11 ILE HG12 2.707 . 3.623 2.495 2.282 3.553 . 0 0 "[ . 1 . 2]" 1
770 1 11 ILE HA 1 11 ILE HG13 2.726 . 3.655 2.983 2.339 3.118 . 0 0 "[ . 1 . 2]" 1
771 1 20 GLY HA2 1 21 ASP HA 3.457 . 4.951 4.591 4.565 4.624 . 0 0 "[ . 1 . 2]" 1
772 1 19 PRO HA 1 20 GLY HA2 3.363 . 4.777 4.340 4.312 4.360 . 0 0 "[ . 1 . 2]" 1
773 1 38 ASP H 1 39 PRO HD2 3.436 . 4.912 4.470 4.298 4.722 . 0 0 "[ . 1 . 2]" 1
774 1 38 ASP H 1 39 PRO HD3 3.264 . 4.595 3.852 3.588 4.114 . 0 0 "[ . 1 . 2]" 1
775 1 39 PRO HD3 1 40 THR H 3.112 . 4.322 3.996 3.917 4.112 . 0 0 "[ . 1 . 2]" 1
776 1 51 THR H 1 51 THR HA 2.584 . 3.419 2.934 2.913 2.943 . 0 0 "[ . 1 . 2]" 1
777 1 13 CYS HA 1 64 VAL MG2 2.688 . 3.591 3.121 2.674 3.608 0.017 18 0 "[ . 1 . 2]" 1
778 1 73 GLY HA2 1 74 VAL MG1 2.842 . 3.851 3.993 3.943 4.035 0.184 14 0 "[ . 1 . 2]" 1
779 1 46 GLY HA2 1 74 VAL MG1 3.232 . 4.538 4.114 3.291 4.300 . 0 0 "[ . 1 . 2]" 1
780 1 73 GLY HA3 1 74 VAL MG1 2.948 . 4.034 3.136 3.036 3.306 . 0 0 "[ . 1 . 2]" 1
781 1 73 GLY HA3 1 74 VAL MG2 3.093 . 4.289 4.235 4.094 4.319 0.030 14 0 "[ . 1 . 2]" 1
782 1 74 VAL MG1 1 75 ILE H 2.967 . 4.068 4.080 4.014 4.144 0.076 17 0 "[ . 1 . 2]" 1
783 1 38 ASP HB3 1 41 VAL MG1 2.783 . 3.751 2.611 2.093 3.342 . 0 0 "[ . 1 . 2]" 1
784 1 40 THR H 1 41 VAL MG1 2.808 . 3.793 3.400 3.195 3.659 . 0 0 "[ . 1 . 2]" 1
785 1 62 THR H 1 62 THR MG 2.915 . 3.977 3.958 3.792 3.991 0.014 18 0 "[ . 1 . 2]" 1
786 1 82 VAL H 1 82 VAL MG1 2.476 . 3.242 3.107 2.993 3.222 . 0 0 "[ . 1 . 2]" 1
787 1 65 CYS HB2 1 82 VAL MG1 2.495 . 3.273 2.725 2.142 3.138 . 0 0 "[ . 1 . 2]" 1
788 1 29 LEU H 1 29 LEU MD2 2.614 . 3.468 3.434 3.341 3.498 0.030 2 0 "[ . 1 . 2]" 1
789 1 39 PRO HA 1 41 VAL MG2 2.591 . 3.430 3.337 2.968 3.510 0.080 20 0 "[ . 1 . 2]" 1
790 1 20 GLY HA3 1 43 ILE HG13 3.369 . 4.788 4.828 4.796 4.856 0.068 1 0 "[ . 1 . 2]" 1
791 1 77 ILE HA 1 79 CYS H 2.974 . 4.079 4.082 3.976 4.139 0.060 16 0 "[ . 1 . 2]" 1
792 1 49 PRO HB3 1 51 THR MG 3.211 . 4.500 4.424 3.962 4.585 0.085 11 0 "[ . 1 . 2]" 1
793 1 51 THR MG 1 52 VAL HB 2.969 . 4.071 3.734 2.878 4.126 0.055 12 0 "[ . 1 . 2]" 1
794 1 51 THR MG 1 52 VAL H 3.107 . 4.314 3.356 3.186 3.585 . 0 0 "[ . 1 . 2]" 1
795 1 18 VAL HB 1 22 SER HB2 3.276 . 4.618 3.988 3.834 4.162 . 0 0 "[ . 1 . 2]" 1
796 1 19 PRO HB2 1 22 SER HB2 3.110 . 4.319 1.929 1.880 1.973 0.021 7 0 "[ . 1 . 2]" 1
797 1 18 VAL MG2 1 22 SER HB2 3.530 . 5.087 5.080 4.961 5.150 0.063 5 0 "[ . 1 . 2]" 1
798 1 18 VAL MG2 1 22 SER HB3 3.521 . 5.071 3.941 3.846 4.003 . 0 0 "[ . 1 . 2]" 1
799 1 19 PRO HA 1 22 SER HB3 3.191 . 4.464 4.532 4.496 4.560 0.096 5 0 "[ . 1 . 2]" 1
800 1 19 PRO HA 1 22 SER HB2 3.054 . 4.220 4.375 4.348 4.398 0.178 15 0 "[ . 1 . 2]" 1
801 1 19 PRO HA 1 19 PRO HB3 2.364 . 3.062 2.280 2.269 2.288 . 0 0 "[ . 1 . 2]" 1
802 1 65 CYS H 1 79 CYS HB3 3.359 . 4.769 3.376 3.237 3.577 . 0 0 "[ . 1 . 2]" 1
803 1 41 VAL HB 1 78 GLY H 3.247 . 4.565 3.059 2.837 3.400 . 0 0 "[ . 1 . 2]" 1
804 1 41 VAL HB 1 77 ILE MG 2.986 . 4.100 3.919 3.700 4.149 0.049 16 0 "[ . 1 . 2]" 1
805 1 14 CYS HB3 1 44 GLY HA2 3.287 . 4.638 3.037 2.889 3.301 . 0 0 "[ . 1 . 2]" 1
806 1 14 CYS HB3 1 44 GLY HA3 3.240 . 4.552 2.916 2.631 3.180 . 0 0 "[ . 1 . 2]" 1
807 1 14 CYS HA 1 47 CYS QB 3.154 . 4.398 2.847 2.765 2.955 . 0 0 "[ . 1 . 2]" 1
808 1 46 GLY HA2 1 74 VAL HB 3.202 . 4.483 2.726 2.013 2.863 . 0 0 "[ . 1 . 2]" 1
809 1 46 GLY HA3 1 74 VAL HB 3.208 . 4.495 4.429 3.730 4.581 0.086 4 0 "[ . 1 . 2]" 1
810 1 15 GLN HG3 1 46 GLY HA3 3.245 . 4.562 2.678 2.534 3.029 . 0 0 "[ . 1 . 2]" 1
811 1 64 VAL HB 1 79 CYS HA 3.116 . 4.329 3.662 3.550 3.779 . 0 0 "[ . 1 . 2]" 1
812 1 3 TRP HA 1 51 THR HA 2.771 . 3.731 2.706 1.919 3.687 . 0 0 "[ . 1 . 2]" 1
813 1 3 TRP HA 1 51 THR HB 3.066 . 4.241 3.615 2.383 4.420 0.179 6 0 "[ . 1 . 2]" 1
814 1 3 TRP HA 1 3 TRP HE3 3.017 . 4.155 3.433 2.698 4.363 0.208 17 0 "[ . 1 . 2]" 1
815 1 39 PRO HA 1 41 VAL MG1 3.267 . 4.601 4.628 4.490 4.669 0.068 14 0 "[ . 1 . 2]" 1
816 1 10 SER HA 1 10 SER HB2 2.301 . 2.963 2.527 2.439 3.018 0.055 2 0 "[ . 1 . 2]" 1
817 1 10 SER HB3 1 12 GLN QE 3.039 . 4.193 2.397 2.121 3.742 . 0 0 "[ . 1 . 2]" 1
818 1 36 LEU HA 1 37 GLU QB 3.283 . 4.631 4.311 4.038 4.457 . 0 0 "[ . 1 . 2]" 1
819 1 37 GLU QB 1 38 ASP HB2 3.432 . 4.904 3.872 3.573 4.249 . 0 0 "[ . 1 . 2]" 1
820 1 46 GLY HA2 1 47 CYS QB 3.510 . 5.050 4.697 4.615 4.763 . 0 0 "[ . 1 . 2]" 1
821 1 46 GLY HA3 1 47 CYS QB 3.476 . 4.986 4.837 4.791 4.897 . 0 0 "[ . 1 . 2]" 1
822 1 42 LEU H 1 42 LEU QB 3.015 . 3.420 2.383 2.348 2.430 . 0 0 "[ . 1 . 2]" 1
823 1 42 LEU QB 1 43 ILE H 2.912 . 3.972 3.256 3.132 3.340 . 0 0 "[ . 1 . 2]" 1
824 1 64 VAL HB 1 65 CYS HA 3.219 . 4.514 4.224 4.131 4.355 . 0 0 "[ . 1 . 2]" 1
825 1 64 VAL HB 1 81 PRO HA 3.460 . 4.957 3.921 3.822 4.004 . 0 0 "[ . 1 . 2]" 1
826 1 37 GLU H 1 37 GLU HG2 3.393 . 4.832 3.480 2.257 4.576 . 0 0 "[ . 1 . 2]" 1
827 1 40 THR HB 1 41 VAL H 3.507 . 5.045 4.210 3.958 4.409 . 0 0 "[ . 1 . 2]" 1
828 1 19 PRO HB3 1 19 PRO HD2 3.181 . 4.446 3.907 3.895 3.915 . 0 0 "[ . 1 . 2]" 1
829 1 19 PRO HB3 1 40 THR HA 3.283 . 4.631 4.470 4.117 4.658 0.027 11 0 "[ . 1 . 2]" 1
830 1 22 SER HB3 1 23 ASP H 3.282 . 4.628 3.877 3.824 3.945 . 0 0 "[ . 1 . 2]" 1
831 1 19 PRO HB3 1 22 SER HB3 3.268 . 4.603 4.481 4.435 4.539 . 0 0 "[ . 1 . 2]" 1
832 1 81 PRO HA 1 81 PRO HB3 2.287 . 2.941 2.271 2.264 2.279 . 0 0 "[ . 1 . 2]" 1
833 1 11 ILE HA 1 12 GLN QG 2.966 . 4.066 3.698 2.836 3.958 . 0 0 "[ . 1 . 2]" 1
834 1 39 PRO HB2 1 39 PRO HD3 3.052 . 4.217 3.928 3.909 3.953 . 0 0 "[ . 1 . 2]" 1
835 1 39 PRO HB2 1 39 PRO HD2 3.227 . 4.529 4.034 4.021 4.044 . 0 0 "[ . 1 . 2]" 1
836 1 18 VAL HA 1 19 PRO HG2 3.308 . 4.676 4.462 4.425 4.508 . 0 0 "[ . 1 . 2]" 1
837 1 19 PRO HA 1 19 PRO HG2 3.336 . 4.727 3.960 3.943 3.988 . 0 0 "[ . 1 . 2]" 1
838 1 19 PRO HA 1 19 PRO HG3 2.763 . 3.717 3.074 3.034 3.145 . 0 0 "[ . 1 . 2]" 1
839 1 11 ILE HG13 1 12 GLN H 3.382 . 4.812 4.862 4.108 4.988 0.176 13 0 "[ . 1 . 2]" 1
840 1 50 ILE H 1 50 ILE HG12 2.948 . 4.034 3.281 3.120 3.486 . 0 0 "[ . 1 . 2]" 1
841 1 13 CYS H 1 50 ILE HG12 3.515 . 5.059 3.254 3.111 3.458 . 0 0 "[ . 1 . 2]" 1
842 1 24 LEU HB2 1 25 GLY H 3.022 . 4.163 2.650 2.544 2.786 . 0 0 "[ . 1 . 2]" 1
843 1 16 ASN QB 1 45 ASP H 3.034 . 4.185 2.799 2.125 3.910 . 0 0 "[ . 1 . 2]" 1
844 1 24 LEU QD 1 28 LEU HG 2.320 . 2.993 3.024 2.989 3.072 0.079 11 0 "[ . 1 . 2]" 1
845 1 15 GLN HG2 1 46 GLY HA2 2.975 . 4.081 3.859 3.701 4.093 0.012 10 0 "[ . 1 . 2]" 1
846 1 15 GLN HG3 1 46 GLY HA2 3.023 . 4.166 4.353 4.227 4.707 0.541 10 1 "[ . + . 2]" 1
847 1 57 ASP H 1 57 ASP HA 2.687 . 3.589 2.875 2.265 2.947 . 0 0 "[ . 1 . 2]" 1
848 1 56 SER HB2 1 57 ASP H 3.249 . 4.569 3.320 1.923 4.459 0.006 10 0 "[ . 1 . 2]" 1
849 1 56 SER HA 1 57 ASP H 2.730 . 3.662 3.406 2.914 3.570 . 0 0 "[ . 1 . 2]" 1
850 1 57 ASP H 1 57 ASP HB2 2.607 . 3.456 2.930 2.297 3.788 0.332 5 0 "[ . 1 . 2]" 1
851 1 56 SER H 1 57 ASP H 3.454 . 4.945 2.444 1.957 3.071 0.006 7 0 "[ . 1 . 2]" 1
852 1 70 ASN HB2 1 70 ASN HD21 3.350 . 4.753 2.677 2.203 3.498 . 0 0 "[ . 1 . 2]" 1
853 1 70 ASN HB3 1 70 ASN HD21 3.209 . 4.497 2.995 2.217 3.525 . 0 0 "[ . 1 . 2]" 1
854 1 12 GLN H 1 12 GLN HB2 2.911 . 3.970 3.744 3.610 3.845 . 0 0 "[ . 1 . 2]" 1
855 1 11 ILE HB 1 12 GLN H 3.128 . 4.351 4.037 3.914 4.165 . 0 0 "[ . 1 . 2]" 1
856 1 12 GLN H 1 12 GLN QG 2.721 . 3.647 2.395 2.194 2.644 . 0 0 "[ . 1 . 2]" 1
857 1 11 ILE HG12 1 12 GLN H 3.280 . 4.625 4.155 3.974 4.885 0.260 1 0 "[ . 1 . 2]" 1
858 1 11 ILE MG 1 12 GLN H 2.360 . 3.056 2.410 2.271 2.547 . 0 0 "[ . 1 . 2]" 1
859 1 11 ILE H 1 12 GLN H 3.727 . 5.463 4.445 4.357 4.523 . 0 0 "[ . 1 . 2]" 1
860 1 12 GLN H 1 65 CYS HA 3.250 . 4.570 3.229 2.922 3.466 . 0 0 "[ . 1 . 2]" 1
861 1 12 GLN H 1 66 CYS H 3.653 . 5.321 3.985 3.749 4.165 . 0 0 "[ . 1 . 2]" 1
862 1 16 ASN QB 1 16 ASN HD21 2.807 . 3.571 2.138 2.102 2.185 . 0 0 "[ . 1 . 2]" 1
863 1 15 GLN HA 1 16 ASN H 3.012 . 4.146 3.483 3.449 3.529 . 0 0 "[ . 1 . 2]" 1
864 1 16 ASN H 1 17 VAL MG2 3.284 . 4.632 3.980 3.840 4.174 . 0 0 "[ . 1 . 2]" 1
865 1 14 CYS HA 1 16 ASN H 3.057 . 4.225 3.665 3.521 3.895 . 0 0 "[ . 1 . 2]" 1
866 1 16 ASN H 1 45 ASP H 2.790 . 3.763 3.492 2.753 3.781 0.018 19 0 "[ . 1 . 2]" 1
867 1 23 ASP HB3 1 24 LEU H 2.410 . 3.136 3.390 2.359 3.503 0.367 6 0 "[ . 1 . 2]" 1
868 1 24 LEU H 1 24 LEU QD 3.055 . 4.221 2.854 2.571 3.562 . 0 0 "[ . 1 . 2]" 1
869 1 22 SER HB3 1 24 LEU H 3.074 . 4.255 3.546 3.459 3.643 . 0 0 "[ . 1 . 2]" 1
870 1 24 LEU H 1 24 LEU HB2 2.313 . 2.982 2.098 2.041 2.155 . 0 0 "[ . 1 . 2]" 1
871 1 70 ASN H 1 70 ASN HB2 2.998 . 4.122 2.739 2.358 3.682 . 0 0 "[ . 1 . 2]" 1
872 1 70 ASN H 1 70 ASN HB3 2.623 . 3.483 3.056 2.426 3.680 0.197 16 0 "[ . 1 . 2]" 1
873 1 68 ASP HB3 1 69 ASN H 3.316 . 4.690 3.471 2.681 4.104 . 0 0 "[ . 1 . 2]" 1
874 1 71 VAL QG 1 72 SER H 2.808 . 3.794 3.157 2.353 3.458 . 0 0 "[ . 1 . 2]" 1
875 1 42 LEU H 1 42 LEU MD1 2.817 . 3.809 3.764 3.688 3.832 0.023 10 0 "[ . 1 . 2]" 1
876 1 42 LEU H 1 42 LEU MD2 3.121 . 4.338 3.596 3.457 3.785 . 0 0 "[ . 1 . 2]" 1
877 1 23 ASP H 1 24 LEU H 2.882 . 3.920 2.724 2.632 2.787 . 0 0 "[ . 1 . 2]" 1
878 1 27 LEU MD1 1 28 LEU H 3.226 . 4.527 3.780 3.505 4.946 0.419 6 0 "[ . 1 . 2]" 1
879 1 26 THR HA 1 28 LEU H 3.010 . 4.142 4.223 4.167 4.257 0.115 18 0 "[ . 1 . 2]" 1
880 1 25 GLY HA2 1 28 LEU H 3.301 . 4.663 3.458 3.341 3.578 . 0 0 "[ . 1 . 2]" 1
881 1 28 LEU H 1 28 LEU HB2 2.275 . 2.922 2.568 2.521 2.604 . 0 0 "[ . 1 . 2]" 1
882 1 28 LEU H 1 28 LEU HG 2.176 . 2.768 2.368 2.288 2.498 . 0 0 "[ . 1 . 2]" 1
883 1 28 LEU H 1 28 LEU MD2 2.917 . 3.981 2.746 2.702 2.825 . 0 0 "[ . 1 . 2]" 1
884 1 27 LEU HA 1 31 GLU H 3.319 . 4.696 4.330 4.130 4.567 . 0 0 "[ . 1 . 2]" 1
885 1 30 ASP HB3 1 31 GLU H 2.791 . 3.764 2.690 2.606 2.771 . 0 0 "[ . 1 . 2]" 1
886 1 14 CYS HB2 1 62 THR H 3.495 . 5.022 4.421 4.266 4.830 . 0 0 "[ . 1 . 2]" 1
887 1 31 GLU H 1 31 GLU HG3 2.871 . 3.901 4.194 3.923 4.505 0.604 13 5 "[ * * 1 *+ .- 2]" 1
888 1 31 GLU H 1 31 GLU HB2 2.338 . 3.021 2.269 2.081 2.807 . 0 0 "[ . 1 . 2]" 1
889 1 31 GLU H 1 32 LEU HG 3.315 . 4.689 4.181 3.829 4.420 . 0 0 "[ . 1 . 2]" 1
890 1 31 GLU H 1 32 LEU HB2 3.085 . 4.275 4.357 4.315 4.385 0.110 7 0 "[ . 1 . 2]" 1
891 1 61 ALA MB 1 62 THR H 2.031 . 2.546 1.883 1.757 1.987 . 0 0 "[ . 1 . 2]" 1
892 1 28 LEU H 1 28 LEU MD1 3.280 . 4.625 3.866 3.814 3.943 . 0 0 "[ . 1 . 2]" 1
893 1 28 LEU H 1 29 LEU H 2.499 . 3.279 2.668 2.573 2.789 . 0 0 "[ . 1 . 2]" 1
894 1 30 ASP H 1 31 GLU H 2.480 . 3.249 2.508 2.464 2.600 . 0 0 "[ . 1 . 2]" 1
895 1 26 THR H 1 28 LEU H 3.335 . 4.725 3.836 3.756 3.886 . 0 0 "[ . 1 . 2]" 1
896 1 8 THR HB 1 9 GLY H 3.343 . 4.740 3.515 2.864 4.399 . 0 0 "[ . 1 . 2]" 1
897 1 9 GLY H 1 9 GLY HA2 2.638 . 3.508 2.826 2.607 2.949 . 0 0 "[ . 1 . 2]" 1
898 1 8 THR MG 1 9 GLY H 3.481 . 4.996 4.100 3.719 4.423 . 0 0 "[ . 1 . 2]" 1
899 1 12 GLN HB3 1 12 GLN QE 2.972 . 3.850 1.839 1.696 2.817 0.172 15 0 "[ . 1 . 2]" 1
900 1 12 GLN QE 1 49 PRO HB2 3.756 . 5.520 4.695 4.368 5.268 . 0 0 "[ . 1 . 2]" 1
901 1 12 GLN QE 1 71 VAL QG 3.594 . 5.209 4.130 3.621 4.437 . 0 0 "[ . 1 . 2]" 1
902 1 8 THR H 1 8 THR HB 3.102 . 4.304 3.053 2.420 3.735 . 0 0 "[ . 1 . 2]" 1
903 1 8 THR H 1 8 THR MG 3.217 . 4.511 3.430 2.513 3.908 . 0 0 "[ . 1 . 2]" 1
904 1 67 SER H 1 67 SER QB 2.541 . 3.348 2.363 2.241 2.577 . 0 0 "[ . 1 . 2]" 1
905 1 66 CYS HA 1 67 SER H 2.288 . 2.943 2.127 2.033 2.281 . 0 0 "[ . 1 . 2]" 1
906 1 65 CYS H 1 79 CYS HB2 3.428 . 4.897 4.871 4.755 4.946 0.049 5 0 "[ . 1 . 2]" 1
907 1 65 CYS H 1 80 LEU HB2 3.396 . 4.838 3.581 3.242 3.795 . 0 0 "[ . 1 . 2]" 1
908 1 64 VAL MG2 1 65 CYS H 2.885 . 3.926 3.556 3.421 3.725 . 0 0 "[ . 1 . 2]" 1
909 1 64 VAL MG1 1 65 CYS H 2.992 . 4.111 3.353 3.275 3.490 . 0 0 "[ . 1 . 2]" 1
910 1 3 TRP HB2 1 4 GLY H 3.527 . 5.082 3.588 2.049 4.569 . 0 0 "[ . 1 . 2]" 1
911 1 4 GLY H 1 11 ILE MD 3.977 . 5.954 4.446 2.820 5.549 . 0 0 "[ . 1 . 2]" 1
912 1 53 ALA HA 1 54 GLY H 2.746 . 3.689 2.664 2.126 3.594 . 0 0 "[ . 1 . 2]" 1
913 1 33 GLY HA2 1 34 ILE H 2.599 . 3.443 2.836 2.711 3.003 . 0 0 "[ . 1 . 2]" 1
914 1 32 LEU HB2 1 34 ILE H 2.939 . 4.019 3.449 2.967 3.745 . 0 0 "[ . 1 . 2]" 1
915 1 34 ILE H 1 34 ILE HB 2.346 . 3.034 2.657 2.559 2.760 . 0 0 "[ . 1 . 2]" 1
916 1 34 ILE H 1 34 ILE QG 2.786 . 3.756 2.197 2.051 2.319 . 0 0 "[ . 1 . 2]" 1
917 1 34 ILE H 1 34 ILE MG 2.825 . 3.822 3.827 3.785 3.871 0.049 5 0 "[ . 1 . 2]" 1
918 1 30 ASP HA 1 34 ILE H 3.522 . 5.072 3.869 3.565 4.460 . 0 0 "[ . 1 . 2]" 1
919 1 29 LEU HB3 1 34 ILE H 3.497 . 5.025 4.793 4.401 4.971 . 0 0 "[ . 1 . 2]" 1
920 1 84 LEU H 1 84 LEU QD 3.484 . 4.692 2.913 1.932 3.716 0.034 15 0 "[ . 1 . 2]" 1
921 1 42 LEU QB 1 79 CYS H 3.105 . 4.310 2.808 2.661 2.950 . 0 0 "[ . 1 . 2]" 1
922 1 78 GLY H 1 79 CYS H 2.421 . 3.153 2.602 2.489 2.719 . 0 0 "[ . 1 . 2]" 1
923 1 42 LEU H 1 79 CYS H 3.217 . 4.510 3.316 3.162 3.526 . 0 0 "[ . 1 . 2]" 1
924 1 42 LEU H 1 78 GLY QA 3.428 . 4.897 3.221 3.031 3.675 . 0 0 "[ . 1 . 2]" 1
925 1 42 LEU H 1 42 LEU HG 2.507 . 3.293 2.642 2.532 2.788 . 0 0 "[ . 1 . 2]" 1
926 1 50 ILE HG13 1 51 THR H 3.759 . 5.525 5.151 5.122 5.187 . 0 0 "[ . 1 . 2]" 1
927 1 50 ILE HG12 1 51 THR H 3.537 . 5.101 4.764 4.611 4.902 . 0 0 "[ . 1 . 2]" 1
928 1 50 ILE HB 1 51 THR H 3.250 . 4.570 4.353 4.180 4.424 . 0 0 "[ . 1 . 2]" 1
929 1 50 ILE MD 1 51 THR H 3.718 . 5.446 5.475 5.337 5.557 0.111 13 0 "[ . 1 . 2]" 1
930 1 29 LEU MD1 1 33 GLY H 3.634 . 5.285 4.443 4.266 4.734 . 0 0 "[ . 1 . 2]" 1
931 1 30 ASP HA 1 33 GLY H 3.053 . 4.218 3.374 3.053 3.629 . 0 0 "[ . 1 . 2]" 1
932 1 32 LEU HG 1 33 GLY H 3.503 . 5.037 4.678 4.495 4.769 . 0 0 "[ . 1 . 2]" 1
933 1 32 LEU HB2 1 33 GLY H 2.941 . 4.022 3.254 3.054 3.507 . 0 0 "[ . 1 . 2]" 1
934 1 32 LEU HB3 1 33 GLY H 3.167 . 4.420 4.015 3.860 4.194 . 0 0 "[ . 1 . 2]" 1
935 1 32 LEU MD2 1 33 GLY H 3.395 . 4.835 4.741 4.685 4.816 . 0 0 "[ . 1 . 2]" 1
936 1 33 GLY H 1 34 ILE H 2.493 . 3.270 2.589 2.442 2.781 . 0 0 "[ . 1 . 2]" 1
937 1 32 LEU H 1 33 GLY H 2.362 . 3.059 2.225 1.978 2.524 . 0 0 "[ . 1 . 2]" 1
938 1 30 ASP H 1 33 GLY H 3.603 . 5.225 4.659 4.549 4.829 . 0 0 "[ . 1 . 2]" 1
939 1 22 SER HA 1 25 GLY H 3.996 . 5.992 4.609 4.491 4.741 . 0 0 "[ . 1 . 2]" 1
940 1 22 SER HB2 1 25 GLY H 3.503 . 5.037 3.866 3.736 3.996 . 0 0 "[ . 1 . 2]" 1
941 1 24 LEU HA 1 25 GLY H 3.110 . 4.319 3.564 3.558 3.567 . 0 0 "[ . 1 . 2]" 1
942 1 22 SER HB3 1 25 GLY H 3.171 . 4.428 2.206 2.108 2.316 . 0 0 "[ . 1 . 2]" 1
943 1 18 VAL HB 1 25 GLY H 3.581 . 5.184 2.602 2.519 2.730 . 0 0 "[ . 1 . 2]" 1
944 1 24 LEU HB3 1 25 GLY H 2.683 . 3.583 2.626 2.469 2.784 . 0 0 "[ . 1 . 2]" 1
945 1 24 LEU QD 1 25 GLY H 3.297 . 4.656 3.843 3.803 3.890 . 0 0 "[ . 1 . 2]" 1
946 1 18 VAL MG2 1 25 GLY H 2.727 . 3.657 3.098 2.909 3.255 . 0 0 "[ . 1 . 2]" 1
947 1 24 LEU H 1 25 GLY H 2.260 . 2.899 2.765 2.675 2.861 . 0 0 "[ . 1 . 2]" 1
948 1 37 GLU H 1 37 GLU HG3 3.160 . 4.408 3.492 2.162 4.549 0.141 6 0 "[ . 1 . 2]" 1
949 1 37 GLU H 1 37 GLU QB 2.296 . 2.955 2.377 2.220 2.487 . 0 0 "[ . 1 . 2]" 1
950 1 36 LEU QB 1 37 GLU H 3.348 . 4.090 3.040 2.821 3.212 . 0 0 "[ . 1 . 2]" 1
951 1 36 LEU QD 1 37 GLU H 2.968 . 4.069 3.769 3.483 4.025 . 0 0 "[ . 1 . 2]" 1
952 1 43 ILE HG12 1 44 GLY H 3.571 . 5.165 5.130 5.043 5.190 0.025 18 0 "[ . 1 . 2]" 1
953 1 44 GLY H 1 77 ILE HG12 3.571 . 5.165 4.914 4.699 5.117 . 0 0 "[ . 1 . 2]" 1
954 1 43 ILE MG 1 44 GLY H 2.672 . 3.565 3.588 3.544 3.615 0.050 6 0 "[ . 1 . 2]" 1
955 1 44 GLY H 1 76 ALA H 2.842 . 3.852 2.563 2.452 2.693 . 0 0 "[ . 1 . 2]" 1
956 1 74 VAL HA 1 75 ILE H 3.041 . 4.197 3.350 3.213 3.465 . 0 0 "[ . 1 . 2]" 1
957 1 73 GLY HA3 1 75 ILE H 3.554 . 5.133 4.568 4.461 4.633 . 0 0 "[ . 1 . 2]" 1
958 1 72 SER QB 1 75 ILE H 3.233 . 4.539 4.025 3.330 4.308 . 0 0 "[ . 1 . 2]" 1
959 1 74 VAL HB 1 75 ILE H 3.080 . 4.266 4.287 4.145 4.379 0.113 17 0 "[ . 1 . 2]" 1
960 1 75 ILE H 1 75 ILE HG12 2.822 . 3.817 2.268 2.159 2.441 . 0 0 "[ . 1 . 2]" 1
961 1 75 ILE H 1 75 ILE MG 2.705 . 3.620 2.443 2.203 2.613 . 0 0 "[ . 1 . 2]" 1
962 1 75 ILE H 1 76 ALA H 3.588 . 5.197 4.465 4.437 4.530 . 0 0 "[ . 1 . 2]" 1
963 1 74 VAL H 1 75 ILE H 2.386 . 3.097 1.815 1.711 1.886 . 0 0 "[ . 1 . 2]" 1
964 1 76 ALA H 1 77 ILE HA 4.136 . 6.274 4.555 4.447 4.654 . 0 0 "[ . 1 . 2]" 1
965 1 76 ALA H 1 77 ILE HG12 3.443 . 4.925 4.718 4.522 4.844 . 0 0 "[ . 1 . 2]" 1
966 1 44 GLY HA3 1 76 ALA H 3.488 . 5.009 3.706 3.548 3.861 . 0 0 "[ . 1 . 2]" 1
967 1 43 ILE HB 1 76 ALA H 3.902 . 5.805 3.893 3.746 4.065 . 0 0 "[ . 1 . 2]" 1
968 1 75 ILE HG13 1 76 ALA H 2.898 . 3.948 3.329 3.093 3.538 . 0 0 "[ . 1 . 2]" 1
969 1 75 ILE HG12 1 76 ALA H 3.208 . 4.495 4.400 4.255 4.511 0.016 20 0 "[ . 1 . 2]" 1
970 1 75 ILE MG 1 76 ALA H 2.539 . 3.345 3.433 3.313 3.482 0.137 10 0 "[ . 1 . 2]" 1
971 1 45 ASP HA 1 76 ALA H 3.295 . 4.652 3.840 3.561 4.121 . 0 0 "[ . 1 . 2]" 1
972 1 76 ALA H 1 76 ALA HA 2.904 . 3.958 2.911 2.898 2.931 . 0 0 "[ . 1 . 2]" 1
973 1 29 LEU H 1 29 LEU HG 2.070 . 2.606 2.133 2.049 2.284 . 0 0 "[ . 1 . 2]" 1
974 1 29 LEU H 1 29 LEU MD1 2.900 . 3.952 3.388 3.285 3.617 . 0 0 "[ . 1 . 2]" 1
975 1 69 ASN HB2 1 69 ASN HD21 2.783 . 3.751 2.861 2.213 3.513 . 0 0 "[ . 1 . 2]" 1
976 1 69 ASN HA 1 69 ASN HD21 3.679 . 5.371 3.452 1.736 4.523 0.251 14 0 "[ . 1 . 2]" 1
977 1 69 ASN H 1 69 ASN HD21 3.478 . 4.990 3.646 2.408 4.888 . 0 0 "[ . 1 . 2]" 1
978 1 10 SER HB2 1 12 GLN QE 3.694 . 5.400 3.559 2.404 4.296 . 0 0 "[ . 1 . 2]" 1
979 1 39 PRO HG2 1 40 THR H 3.353 . 4.758 3.327 3.120 3.531 . 0 0 "[ . 1 . 2]" 1
980 1 40 THR H 1 41 VAL MG2 3.507 . 5.044 3.813 3.637 3.928 . 0 0 "[ . 1 . 2]" 1
981 1 40 THR H 1 41 VAL HA 3.614 . 5.247 4.878 4.679 5.043 . 0 0 "[ . 1 . 2]" 1
982 1 39 PRO HB3 1 40 THR H 3.678 . 5.369 4.481 4.410 4.554 . 0 0 "[ . 1 . 2]" 1
983 1 39 PRO HG3 1 40 THR H 3.738 . 5.484 4.583 4.438 4.759 . 0 0 "[ . 1 . 2]" 1
984 1 38 ASP HA 1 40 THR H 3.395 . 4.835 3.357 3.163 3.624 . 0 0 "[ . 1 . 2]" 1
985 1 13 CYS QB 1 48 ASP H 3.318 . 4.694 3.361 2.973 3.702 . 0 0 "[ . 1 . 2]" 1
986 1 12 GLN HB2 1 48 ASP H 3.378 . 4.805 3.745 3.484 4.130 . 0 0 "[ . 1 . 2]" 1
987 1 47 CYS QB 1 48 ASP H 2.882 . 3.920 3.745 3.705 3.776 . 0 0 "[ . 1 . 2]" 1
988 1 48 ASP H 1 48 ASP HA 2.596 . 3.439 2.930 2.920 2.938 . 0 0 "[ . 1 . 2]" 1
989 1 13 CYS H 1 48 ASP H 2.720 . 3.645 3.005 2.653 3.170 . 0 0 "[ . 1 . 2]" 1
990 1 46 GLY H 1 47 CYS QB 3.774 . 5.554 4.076 3.967 4.198 . 0 0 "[ . 1 . 2]" 1
991 1 46 GLY H 1 74 VAL HB 3.497 . 5.026 3.214 2.789 3.485 . 0 0 "[ . 1 . 2]" 1
992 1 46 GLY H 1 46 GLY HA2 2.260 . 2.898 2.320 2.305 2.339 . 0 0 "[ . 1 . 2]" 1
993 1 45 ASP HB3 1 46 GLY H 2.971 . 4.074 3.964 3.618 4.157 0.083 4 0 "[ . 1 . 2]" 1
994 1 46 GLY H 1 75 ILE MG 3.503 . 5.037 3.289 3.091 3.511 . 0 0 "[ . 1 . 2]" 1
995 1 30 ASP HA 1 32 LEU H 3.824 . 5.652 3.952 3.613 4.562 . 0 0 "[ . 1 . 2]" 1
996 1 29 LEU HA 1 32 LEU H 3.002 . 4.129 2.930 2.795 3.043 . 0 0 "[ . 1 . 2]" 1
997 1 31 GLU HG3 1 32 LEU H 3.926 . 5.853 5.046 3.154 5.580 . 0 0 "[ . 1 . 2]" 1
998 1 31 GLU HB2 1 32 LEU H 2.944 . 4.027 3.679 3.315 3.962 . 0 0 "[ . 1 . 2]" 1
999 1 31 GLU HB3 1 32 LEU H 2.867 . 3.895 3.106 2.497 3.902 0.007 8 0 "[ . 1 . 2]" 1
1000 1 32 LEU H 1 32 LEU HG 2.375 . 3.080 2.795 2.560 3.069 . 0 0 "[ . 1 . 2]" 1
1001 1 32 LEU H 1 32 LEU HB2 2.388 . 3.101 2.334 2.248 2.431 . 0 0 "[ . 1 . 2]" 1
1002 1 32 LEU H 1 32 LEU MD1 2.857 . 3.877 3.778 3.566 3.923 0.046 10 0 "[ . 1 . 2]" 1
1003 1 32 LEU H 1 34 ILE QG 3.832 . 5.667 3.856 3.698 3.990 . 0 0 "[ . 1 . 2]" 1
1004 1 32 LEU H 1 34 ILE MD 3.486 . 5.005 4.411 4.247 4.575 . 0 0 "[ . 1 . 2]" 1
1005 1 30 ASP H 1 32 LEU H 3.459 . 4.955 3.773 3.688 3.964 . 0 0 "[ . 1 . 2]" 1
1006 1 31 GLU H 1 32 LEU H 2.243 . 2.872 2.375 2.305 2.432 . 0 0 "[ . 1 . 2]" 1
1007 1 32 LEU H 1 34 ILE H 3.264 . 4.596 3.863 3.597 4.219 . 0 0 "[ . 1 . 2]" 1
1008 1 12 GLN HB2 1 50 ILE H 3.414 . 4.871 4.414 4.168 4.709 . 0 0 "[ . 1 . 2]" 1
1009 1 50 ILE H 1 50 ILE HB 2.446 . 3.194 2.680 2.612 2.759 . 0 0 "[ . 1 . 2]" 1
1010 1 12 GLN QG 1 50 ILE H 3.790 . 5.586 4.975 4.361 5.233 . 0 0 "[ . 1 . 2]" 1
1011 1 50 ILE H 1 50 ILE HG13 2.829 . 3.829 2.133 1.955 2.335 . 0 0 "[ . 1 . 2]" 1
1012 1 50 ILE H 1 50 ILE MG 2.939 . 4.019 3.801 3.786 3.814 . 0 0 "[ . 1 . 2]" 1
1013 1 50 ILE H 1 50 ILE MD 3.078 . 4.262 3.687 3.596 3.790 . 0 0 "[ . 1 . 2]" 1
1014 1 50 ILE H 1 51 THR H 3.249 . 4.569 4.107 4.001 4.343 . 0 0 "[ . 1 . 2]" 1
1015 1 3 TRP H 1 3 TRP HB2 2.932 . 4.007 3.057 2.272 3.835 . 0 0 "[ . 1 . 2]" 1
1016 1 2 SER HB2 1 3 TRP H 3.266 . 4.599 4.002 2.035 4.508 . 0 0 "[ . 1 . 2]" 1
1017 1 74 VAL H 1 74 VAL HA 2.779 . 3.745 2.926 2.918 2.932 . 0 0 "[ . 1 . 2]" 1
1018 1 74 VAL H 1 75 ILE MG 3.516 . 5.061 3.285 3.089 3.472 . 0 0 "[ . 1 . 2]" 1
1019 1 73 GLY H 1 74 VAL H 2.928 . 4.000 2.621 2.536 2.780 . 0 0 "[ . 1 . 2]" 1
1020 1 50 ILE HA 1 52 VAL H 2.855 . 3.874 3.210 3.056 3.469 . 0 0 "[ . 1 . 2]" 1
1021 1 52 VAL H 1 52 VAL HB 2.636 . 3.504 2.872 2.518 3.315 . 0 0 "[ . 1 . 2]" 1
1022 1 52 VAL H 1 52 VAL MG1 2.438 . 3.181 2.064 1.882 2.512 . 0 0 "[ . 1 . 2]" 1
1023 1 52 VAL H 1 53 ALA H 3.223 . 4.522 4.473 4.252 4.593 0.071 12 0 "[ . 1 . 2]" 1
1024 1 51 THR H 1 52 VAL H 2.650 . 3.528 2.114 1.880 2.506 . 0 0 "[ . 1 . 2]" 1
1025 1 22 SER H 1 26 THR HB 3.751 . 5.509 5.056 4.774 5.345 . 0 0 "[ . 1 . 2]" 1
1026 1 20 GLY HA3 1 22 SER H 3.687 . 5.386 4.284 4.236 4.338 . 0 0 "[ . 1 . 2]" 1
1027 1 20 GLY HA2 1 22 SER H 3.364 . 4.779 3.655 3.589 3.731 . 0 0 "[ . 1 . 2]" 1
1028 1 19 PRO HB3 1 22 SER H 3.488 . 5.009 3.870 3.685 4.057 . 0 0 "[ . 1 . 2]" 1
1029 1 19 PRO HB2 1 22 SER H 2.864 . 3.889 2.413 2.215 2.594 . 0 0 "[ . 1 . 2]" 1
1030 1 18 VAL MG2 1 22 SER H 3.804 . 5.613 5.080 4.985 5.169 . 0 0 "[ . 1 . 2]" 1
1031 1 22 SER H 1 22 SER HB2 3.017 . 4.155 2.760 2.695 2.825 . 0 0 "[ . 1 . 2]" 1
1032 1 22 SER H 1 22 SER HB3 2.714 . 3.635 2.370 2.303 2.401 . 0 0 "[ . 1 . 2]" 1
1033 1 22 SER H 1 25 GLY HA2 3.781 . 5.568 5.246 5.118 5.379 . 0 0 "[ . 1 . 2]" 1
1034 1 22 SER H 1 26 THR MG 3.742 . 5.492 5.364 5.183 5.503 0.011 3 0 "[ . 1 . 2]" 1
1035 1 21 ASP HB2 1 22 SER H 3.324 . 4.706 4.389 4.290 4.449 . 0 0 "[ . 1 . 2]" 1
1036 1 22 SER H 1 26 THR H 3.364 . 4.779 3.600 3.435 3.759 . 0 0 "[ . 1 . 2]" 1
1037 1 22 SER H 1 25 GLY H 3.111 . 4.321 3.935 3.820 4.051 . 0 0 "[ . 1 . 2]" 1
1038 1 15 GLN H 1 15 GLN HA 2.589 . 3.427 2.839 2.805 2.867 . 0 0 "[ . 1 . 2]" 1
1039 1 14 CYS HB3 1 15 GLN H 2.911 . 3.971 3.195 3.014 3.341 . 0 0 "[ . 1 . 2]" 1
1040 1 15 GLN H 1 15 GLN HG3 2.832 . 3.835 3.374 3.158 3.612 . 0 0 "[ . 1 . 2]" 1
1041 1 15 GLN H 1 15 GLN HB3 2.282 . 2.933 2.063 1.998 2.151 . 0 0 "[ . 1 . 2]" 1
1042 1 15 GLN H 1 61 ALA MB 3.314 . 4.687 3.821 3.595 4.055 . 0 0 "[ . 1 . 2]" 1
1043 1 15 GLN H 1 17 VAL MG2 3.766 . 5.538 4.848 4.697 5.010 . 0 0 "[ . 1 . 2]" 1
1044 1 14 CYS H 1 15 GLN H 3.567 . 5.158 4.475 4.423 4.528 . 0 0 "[ . 1 . 2]" 1
1045 1 15 GLN H 1 48 ASP H 3.453 . 4.944 4.560 4.257 4.777 . 0 0 "[ . 1 . 2]" 1
1046 1 37 GLU HG3 1 38 ASP H 3.734 . 5.477 4.677 4.063 5.193 . 0 0 "[ . 1 . 2]" 1
1047 1 36 LEU QB 1 38 ASP H 3.105 . 3.589 2.774 2.429 3.065 . 0 0 "[ . 1 . 2]" 1
1048 1 36 LEU HA 1 38 ASP H 3.347 . 4.748 3.633 3.400 3.913 . 0 0 "[ . 1 . 2]" 1
1049 1 38 ASP H 1 38 ASP HB2 2.540 . 3.346 2.885 2.561 3.344 . 0 0 "[ . 1 . 2]" 1
1050 1 38 ASP H 1 38 ASP HB3 2.799 . 3.778 3.441 2.768 3.821 0.043 4 0 "[ . 1 . 2]" 1
1051 1 37 GLU QB 1 38 ASP H 2.587 . 3.424 2.734 2.499 2.915 . 0 0 "[ . 1 . 2]" 1
1052 1 36 LEU QD 1 38 ASP H 3.455 . 4.948 3.810 3.676 3.964 . 0 0 "[ . 1 . 2]" 1
1053 1 38 ASP H 1 38 ASP HA 2.862 . 3.886 2.912 2.892 2.933 . 0 0 "[ . 1 . 2]" 1
1054 1 37 GLU H 1 38 ASP H 2.469 . 3.231 2.283 2.099 2.504 . 0 0 "[ . 1 . 2]" 1
1055 1 38 ASP H 1 40 THR H 3.269 . 4.604 4.778 4.728 4.835 0.231 17 0 "[ . 1 . 2]" 1
1056 1 77 ILE HB 1 78 GLY H 3.441 . 4.921 4.144 3.953 4.233 . 0 0 "[ . 1 . 2]" 1
1057 1 77 ILE HA 1 78 GLY H 2.317 . 2.988 2.158 2.130 2.214 . 0 0 "[ . 1 . 2]" 1
1058 1 41 VAL MG1 1 78 GLY H 3.560 . 5.144 4.216 3.993 4.602 . 0 0 "[ . 1 . 2]" 1
1059 1 77 ILE MG 1 78 GLY H 2.612 . 3.465 2.593 2.332 2.762 . 0 0 "[ . 1 . 2]" 1
1060 1 15 GLN HA 1 15 GLN HE21 3.603 . 5.226 3.077 2.926 3.178 . 0 0 "[ . 1 . 2]" 1
1061 1 15 GLN HE21 1 15 GLN HG2 2.557 . 3.374 2.925 2.876 2.953 . 0 0 "[ . 1 . 2]" 1
1062 1 15 GLN HE21 1 15 GLN HG3 3.335 . 4.725 3.496 3.485 3.510 . 0 0 "[ . 1 . 2]" 1
1063 1 15 GLN HB3 1 15 GLN HE21 3.849 . 5.700 3.309 3.286 3.349 . 0 0 "[ . 1 . 2]" 1
1064 1 15 GLN HE21 1 61 ALA MB 3.207 . 4.492 3.439 3.224 3.565 . 0 0 "[ . 1 . 2]" 1
1065 1 71 VAL HA 1 77 ILE H 3.959 . 5.918 4.927 4.679 5.289 . 0 0 "[ . 1 . 2]" 1
1066 1 66 CYS HB2 1 77 ILE H 3.876 . 5.754 4.180 3.919 4.743 . 0 0 "[ . 1 . 2]" 1
1067 1 66 CYS HB3 1 77 ILE H 3.395 . 4.836 3.237 2.826 3.936 . 0 0 "[ . 1 . 2]" 1
1068 1 68 ASP HB2 1 77 ILE H 3.557 . 5.139 4.634 3.378 5.520 0.381 12 0 "[ . 1 . 2]" 1
1069 1 76 ALA MB 1 77 ILE H 2.731 . 3.663 2.876 2.807 2.934 . 0 0 "[ . 1 . 2]" 1
1070 1 77 ILE H 1 77 ILE HG12 2.900 . 3.951 3.951 3.905 3.978 0.027 7 0 "[ . 1 . 2]" 1
1071 1 71 VAL QG 1 77 ILE H 2.935 . 4.012 3.405 2.676 4.040 0.028 18 0 "[ . 1 . 2]" 1
1072 1 77 ILE H 1 78 GLY H 3.765 . 5.537 4.372 4.303 4.443 . 0 0 "[ . 1 . 2]" 1
1073 1 70 ASN HB3 1 71 VAL H 3.338 . 4.731 4.343 3.756 4.620 . 0 0 "[ . 1 . 2]" 1
1074 1 5 GLN HA 1 6 CYS H 2.730 . 3.661 2.139 2.052 2.215 . 0 0 "[ . 1 . 2]" 1
1075 1 6 CYS H 1 6 CYS QB 3.112 . 4.322 2.648 2.240 3.070 . 0 0 "[ . 1 . 2]" 1
1076 1 5 GLN HB2 1 6 CYS H 3.509 . 5.048 4.253 3.382 4.454 . 0 0 "[ . 1 . 2]" 1
1077 1 41 VAL H 1 41 VAL HB 2.769 . 3.728 3.671 3.621 3.734 0.006 6 0 "[ . 1 . 2]" 1
1078 1 40 THR MG 1 41 VAL H 3.332 . 4.719 4.298 4.179 4.393 . 0 0 "[ . 1 . 2]" 1
1079 1 15 GLN HE22 1 15 GLN HG2 3.048 . 4.209 3.786 3.759 3.801 . 0 0 "[ . 1 . 2]" 1
1080 1 15 GLN HE22 1 15 GLN HG3 3.642 . 5.300 4.070 4.061 4.080 . 0 0 "[ . 1 . 2]" 1
1081 1 40 THR H 1 41 VAL H 2.303 . 2.966 2.481 2.275 2.637 . 0 0 "[ . 1 . 2]" 1
1082 1 63 ALA H 1 64 VAL MG2 3.370 . 4.790 4.878 4.817 4.976 0.186 18 0 "[ . 1 . 2]" 1
1083 1 62 THR HB 1 63 ALA H 3.489 . 5.011 4.108 4.014 4.222 . 0 0 "[ . 1 . 2]" 1
1084 1 61 ALA MB 1 63 ALA H 3.831 . 5.666 5.502 5.337 5.581 . 0 0 "[ . 1 . 2]" 1
1085 1 63 ALA H 1 64 VAL MG1 3.588 . 5.198 4.129 4.067 4.240 . 0 0 "[ . 1 . 2]" 1
1086 1 62 THR H 1 63 ALA H 3.455 . 4.947 4.236 4.133 4.545 . 0 0 "[ . 1 . 2]" 1
1087 1 82 VAL HB 1 83 THR H 2.510 . 3.298 2.591 2.434 2.874 . 0 0 "[ . 1 . 2]" 1
1088 1 83 THR H 1 83 THR MG 3.017 . 4.155 3.749 2.372 4.065 . 0 0 "[ . 1 . 2]" 1
1089 1 82 VAL MG1 1 83 THR H 3.007 . 4.138 3.487 3.277 3.597 . 0 0 "[ . 1 . 2]" 1
1090 1 82 VAL H 1 83 THR H 3.118 . 4.333 4.417 4.384 4.452 0.119 12 0 "[ . 1 . 2]" 1
1091 1 29 LEU MD2 1 30 ASP H 3.484 . 5.001 4.330 4.223 4.392 . 0 0 "[ . 1 . 2]" 1
1092 1 30 ASP H 1 30 ASP HB3 2.206 . 2.814 2.575 2.427 2.716 . 0 0 "[ . 1 . 2]" 1
1093 1 30 ASP H 1 30 ASP HB2 2.518 . 3.311 2.496 2.404 2.603 . 0 0 "[ . 1 . 2]" 1
1094 1 29 LEU HG 1 30 ASP H 2.524 . 3.320 2.840 2.663 2.955 . 0 0 "[ . 1 . 2]" 1
1095 1 29 LEU HB2 1 30 ASP H 2.900 . 3.951 4.012 3.977 4.064 0.113 6 0 "[ . 1 . 2]" 1
1096 1 29 LEU MD1 1 30 ASP H 3.609 . 5.237 2.390 2.287 2.701 . 0 0 "[ . 1 . 2]" 1
1097 1 60 SER HB3 1 61 ALA H 3.581 . 5.184 4.006 2.752 4.561 . 0 0 "[ . 1 . 2]" 1
1098 1 60 SER HB2 1 61 ALA H 3.472 . 4.978 3.901 3.058 4.485 . 0 0 "[ . 1 . 2]" 1
1099 1 61 ALA H 1 61 ALA MB 2.207 . 2.816 2.515 2.306 2.821 0.005 4 0 "[ . 1 . 2]" 1
1100 1 59 CYS QB 1 61 ALA H 3.429 . 4.899 3.946 3.033 4.480 . 0 0 "[ . 1 . 2]" 1
1101 1 59 CYS HA 1 61 ALA H 3.097 . 4.296 3.834 3.475 4.352 0.056 10 0 "[ . 1 . 2]" 1
1102 1 60 SER H 1 61 ALA H 3.004 . 4.132 2.220 1.915 2.491 . 0 0 "[ . 1 . 2]" 1
1103 1 61 ALA H 1 62 THR H 3.114 . 4.326 2.978 2.691 4.132 . 0 0 "[ . 1 . 2]" 1
1104 1 52 VAL HA 1 53 ALA H 2.279 . 2.928 2.243 2.114 2.373 . 0 0 "[ . 1 . 2]" 1
1105 1 52 VAL HB 1 53 ALA H 2.992 . 4.111 4.080 3.973 4.199 0.088 13 0 "[ . 1 . 2]" 1
1106 1 53 ALA H 1 53 ALA MB 2.407 . 3.131 2.447 2.244 2.973 . 0 0 "[ . 1 . 2]" 1
1107 1 34 ILE HB 1 35 VAL H 3.032 . 4.181 3.986 3.816 4.174 . 0 0 "[ . 1 . 2]" 1
1108 1 34 ILE QG 1 35 VAL H 3.538 . 5.102 4.237 4.101 4.317 . 0 0 "[ . 1 . 2]" 1
1109 1 35 VAL H 1 36 LEU H 3.399 . 4.843 4.165 3.959 4.465 . 0 0 "[ . 1 . 2]" 1
1110 1 18 VAL H 1 43 ILE HB 3.585 . 5.191 5.152 5.065 5.200 0.009 19 0 "[ . 1 . 2]" 1
1111 1 17 VAL HB 1 18 VAL H 3.572 . 5.167 4.385 4.351 4.414 . 0 0 "[ . 1 . 2]" 1
1112 1 18 VAL H 1 43 ILE HG13 3.573 . 5.168 3.501 3.411 3.613 . 0 0 "[ . 1 . 2]" 1
1113 1 18 VAL H 1 18 VAL MG1 2.969 . 4.071 3.061 2.977 3.130 . 0 0 "[ . 1 . 2]" 1
1114 1 18 VAL H 1 43 ILE MD 3.486 . 5.005 4.910 4.807 5.009 0.004 9 0 "[ . 1 . 2]" 1
1115 1 18 VAL H 1 18 VAL HB 3.558 . 5.141 3.809 3.780 3.828 . 0 0 "[ . 1 . 2]" 1
1116 1 47 CYS H 1 74 VAL HA 3.243 . 4.557 3.837 3.597 4.006 . 0 0 "[ . 1 . 2]" 1
1117 1 46 GLY HA2 1 47 CYS H 2.649 . 3.526 2.809 2.723 2.874 . 0 0 "[ . 1 . 2]" 1
1118 1 47 CYS H 1 74 VAL HB 2.917 . 3.981 3.422 2.752 3.645 . 0 0 "[ . 1 . 2]" 1
1119 1 47 CYS H 1 74 VAL MG2 3.285 . 4.634 3.668 3.319 3.793 . 0 0 "[ . 1 . 2]" 1
1120 1 46 GLY H 1 47 CYS H 2.570 . 3.395 2.585 2.398 2.850 . 0 0 "[ . 1 . 2]" 1
1121 1 65 CYS HB2 1 66 CYS H 3.527 . 5.082 4.440 4.356 4.513 . 0 0 "[ . 1 . 2]" 1
1122 1 12 GLN HB3 1 66 CYS H 3.790 . 5.585 5.625 5.466 5.745 0.160 4 0 "[ . 1 . 2]" 1
1123 1 64 VAL MG2 1 66 CYS H 3.834 . 5.671 4.130 3.839 4.406 . 0 0 "[ . 1 . 2]" 1
1124 1 66 CYS H 1 82 VAL MG2 3.888 . 5.777 5.742 5.436 5.840 0.063 9 0 "[ . 1 . 2]" 1
1125 1 12 GLN H 1 64 VAL H 2.633 . 3.500 3.169 2.959 3.512 0.012 11 0 "[ . 1 . 2]" 1
1126 1 82 VAL H 1 82 VAL HA 2.798 . 3.777 2.927 2.919 2.932 . 0 0 "[ . 1 . 2]" 1
1127 1 82 VAL H 1 82 VAL HB 2.657 . 3.539 3.704 3.620 3.753 0.214 6 0 "[ . 1 . 2]" 1
1128 1 81 PRO HG3 1 82 VAL H 3.769 . 5.545 5.205 5.122 5.251 . 0 0 "[ . 1 . 2]" 1
1129 1 65 CYS H 1 82 VAL H 3.422 . 4.886 4.361 4.070 4.617 . 0 0 "[ . 1 . 2]" 1
1130 1 20 GLY H 1 40 THR HA 3.717 . 5.444 4.398 4.085 4.786 . 0 0 "[ . 1 . 2]" 1
1131 1 20 GLY H 1 25 GLY HA3 3.515 . 5.060 4.660 4.540 4.775 . 0 0 "[ . 1 . 2]" 1
1132 1 19 PRO HB2 1 20 GLY H 3.217 . 4.511 3.730 3.679 3.802 . 0 0 "[ . 1 . 2]" 1
1133 1 20 GLY H 1 43 ILE HG13 3.799 . 5.603 4.732 4.674 4.827 . 0 0 "[ . 1 . 2]" 1
1134 1 20 GLY H 1 43 ILE HG12 3.514 . 5.058 3.194 3.089 3.287 . 0 0 "[ . 1 . 2]" 1
1135 1 20 GLY H 1 43 ILE MD 3.113 . 4.324 4.214 4.076 4.315 . 0 0 "[ . 1 . 2]" 1
1136 1 20 GLY H 1 42 LEU MD2 3.145 . 4.381 3.733 3.540 3.956 . 0 0 "[ . 1 . 2]" 1
1137 1 20 GLY H 1 41 VAL H 3.779 . 5.565 4.038 3.553 4.415 . 0 0 "[ . 1 . 2]" 1
1138 1 20 GLY H 1 22 SER H 3.863 . 5.728 3.886 3.840 3.992 . 0 0 "[ . 1 . 2]" 1
1139 1 14 CYS H 1 62 THR HB 3.213 . 4.503 3.636 3.407 4.017 . 0 0 "[ . 1 . 2]" 1
1140 1 13 CYS QB 1 14 CYS H 3.818 . 4.655 3.925 3.872 3.970 . 0 0 "[ . 1 . 2]" 1
1141 1 14 CYS H 1 14 CYS HB2 2.509 . 3.296 2.352 2.320 2.382 . 0 0 "[ . 1 . 2]" 1
1142 1 14 CYS H 1 61 ALA MB 3.247 . 4.565 4.270 3.851 4.465 . 0 0 "[ . 1 . 2]" 1
1143 1 14 CYS H 1 63 ALA MB 3.665 . 5.344 4.942 4.590 5.117 . 0 0 "[ . 1 . 2]" 1
1144 1 14 CYS H 1 62 THR MG 3.715 . 5.440 4.271 4.026 4.437 . 0 0 "[ . 1 . 2]" 1
1145 1 14 CYS H 1 64 VAL MG2 2.867 . 3.894 2.408 2.099 2.753 . 0 0 "[ . 1 . 2]" 1
1146 1 14 CYS H 1 64 VAL H 3.476 . 4.987 3.834 3.667 3.967 . 0 0 "[ . 1 . 2]" 1
1147 1 14 CYS H 1 62 THR H 2.805 . 3.789 3.533 3.363 3.808 0.019 10 0 "[ . 1 . 2]" 1
1148 1 14 CYS H 1 63 ALA HA 2.932 . 4.007 3.487 3.059 3.713 . 0 0 "[ . 1 . 2]" 1
1149 1 10 SER HB2 1 11 ILE H 3.029 . 4.176 3.995 2.832 4.181 0.005 17 0 "[ . 1 . 2]" 1
1150 1 10 SER HB3 1 11 ILE H 2.920 . 3.986 3.800 3.077 3.962 . 0 0 "[ . 1 . 2]" 1
1151 1 11 ILE H 1 11 ILE HB 2.368 . 3.069 2.535 2.427 2.656 . 0 0 "[ . 1 . 2]" 1
1152 1 11 ILE H 1 11 ILE HG13 2.640 . 3.511 2.758 2.549 3.411 . 0 0 "[ . 1 . 2]" 1
1153 1 11 ILE H 1 11 ILE HG12 2.752 . 3.698 3.743 3.637 4.006 0.308 1 0 "[ . 1 . 2]" 1
1154 1 16 ASN QB 1 17 VAL H 3.289 . 3.853 3.692 3.017 3.816 . 0 0 "[ . 1 . 2]" 1
1155 1 17 VAL H 1 17 VAL HB 2.446 . 3.194 2.598 2.540 2.771 . 0 0 "[ . 1 . 2]" 1
1156 1 23 ASP HA 1 27 LEU H 3.739 . 5.487 4.109 3.922 4.273 . 0 0 "[ . 1 . 2]" 1
1157 1 27 LEU H 1 30 ASP HB3 3.998 . 5.996 5.117 4.798 5.371 . 0 0 "[ . 1 . 2]" 1
1158 1 26 THR HB 1 27 LEU H 2.394 . 3.110 2.582 2.466 2.714 . 0 0 "[ . 1 . 2]" 1
1159 1 25 GLY HA2 1 27 LEU H 3.778 . 5.563 4.573 4.428 4.685 . 0 0 "[ . 1 . 2]" 1
1160 1 27 LEU H 1 27 LEU HB2 2.330 . 3.009 2.283 2.063 2.369 . 0 0 "[ . 1 . 2]" 1
1161 1 27 LEU H 1 27 LEU HB3 2.297 . 2.956 2.723 2.614 3.137 0.181 4 0 "[ . 1 . 2]" 1
1162 1 27 LEU H 1 27 LEU MD1 3.108 . 4.315 4.253 4.070 4.302 . 0 0 "[ . 1 . 2]" 1
1163 1 27 LEU H 1 29 LEU H 3.466 . 4.968 4.304 4.235 4.408 . 0 0 "[ . 1 . 2]" 1
1164 1 26 THR H 1 27 LEU H 2.545 . 3.355 2.588 2.530 2.644 . 0 0 "[ . 1 . 2]" 1
1165 1 27 LEU H 1 28 LEU H 2.384 . 3.095 2.548 2.418 2.623 . 0 0 "[ . 1 . 2]" 1
1166 1 5 GLN HE21 1 5 GLN HG2 2.829 . 3.830 2.783 2.212 3.523 . 0 0 "[ . 1 . 2]" 1
1167 1 5 GLN HB2 1 5 GLN HE21 3.785 . 5.575 3.908 2.803 4.551 . 0 0 "[ . 1 . 2]" 1
1168 1 70 ASN HB2 1 70 ASN HD22 2.993 . 4.112 3.679 3.468 4.064 . 0 0 "[ . 1 . 2]" 1
1169 1 70 ASN HB3 1 70 ASN HD22 2.839 . 3.847 3.828 3.477 4.080 0.233 20 0 "[ . 1 . 2]" 1
1170 1 13 CYS H 1 49 PRO HA 3.241 . 4.554 3.768 3.622 3.967 . 0 0 "[ . 1 . 2]" 1
1171 1 13 CYS H 1 47 CYS QB 3.422 . 4.886 4.635 4.435 4.667 . 0 0 "[ . 1 . 2]" 1
1172 1 13 CYS H 1 48 ASP QB 3.537 . 5.100 4.046 3.672 4.481 . 0 0 "[ . 1 . 2]" 1
1173 1 12 GLN HB2 1 13 CYS H 2.753 . 3.700 2.406 2.233 2.689 . 0 0 "[ . 1 . 2]" 1
1174 1 12 GLN QG 1 13 CYS H 3.264 . 4.596 4.010 3.787 4.239 . 0 0 "[ . 1 . 2]" 1
1175 1 13 CYS H 1 50 ILE HG13 3.098 . 4.297 2.794 2.542 3.146 . 0 0 "[ . 1 . 2]" 1
1176 1 43 ILE H 1 43 ILE HB 2.825 . 3.822 3.705 3.685 3.743 . 0 0 "[ . 1 . 2]" 1
1177 1 43 ILE H 1 43 ILE MG 2.564 . 3.386 2.972 2.920 3.070 . 0 0 "[ . 1 . 2]" 1
1178 1 13 CYS H 1 50 ILE H 3.575 . 5.173 3.763 3.561 3.968 . 0 0 "[ . 1 . 2]" 1
1179 1 13 CYS H 1 13 CYS HA 2.932 . 4.006 2.939 2.935 2.944 . 0 0 "[ . 1 . 2]" 1
1180 1 18 VAL H 1 43 ILE H 2.847 . 3.860 3.534 3.448 3.625 . 0 0 "[ . 1 . 2]" 1
1181 1 17 VAL HA 1 43 ILE H 3.593 . 5.206 4.994 4.882 5.095 . 0 0 "[ . 1 . 2]" 1
1182 1 20 GLY H 1 43 ILE H 3.238 . 4.548 3.445 3.336 3.540 . 0 0 "[ . 1 . 2]" 1
1183 1 64 VAL H 1 64 VAL HB 3.600 . 5.220 3.810 3.797 3.835 . 0 0 "[ . 1 . 2]" 1
1184 1 12 GLN QG 1 64 VAL H 3.669 . 5.351 4.078 3.810 4.361 . 0 0 "[ . 1 . 2]" 1
1185 1 64 VAL H 1 64 VAL MG1 2.988 . 4.104 3.291 3.223 3.367 . 0 0 "[ . 1 . 2]" 1
1186 1 62 THR MG 1 64 VAL H 3.711 . 5.432 4.626 4.262 4.777 . 0 0 "[ . 1 . 2]" 1
1187 1 35 VAL HB 1 36 LEU H 3.294 . 4.651 4.349 4.202 4.403 . 0 0 "[ . 1 . 2]" 1
1188 1 36 LEU H 1 36 LEU QD 2.435 . 3.176 2.939 2.764 3.151 . 0 0 "[ . 1 . 2]" 1
1189 1 36 LEU H 1 36 LEU HG 2.493 . 3.270 2.006 1.661 2.530 0.055 2 0 "[ . 1 . 2]" 1
1190 1 36 LEU H 1 39 PRO HB3 3.855 . 5.712 5.104 4.034 5.747 0.035 6 0 "[ . 1 . 2]" 1
1191 1 45 ASP H 1 75 ILE MG 3.598 . 5.217 4.306 4.105 4.670 . 0 0 "[ . 1 . 2]" 1
1192 1 28 LEU MD1 1 45 ASP H 3.097 . 4.296 4.064 3.772 4.332 0.036 2 0 "[ . 1 . 2]" 1
1193 1 44 GLY HA2 1 45 ASP H 2.176 . 2.768 2.168 2.145 2.191 . 0 0 "[ . 1 . 2]" 1
1194 1 44 GLY H 1 45 ASP H 3.777 . 5.560 4.129 4.012 4.445 . 0 0 "[ . 1 . 2]" 1
1195 1 80 LEU H 1 81 PRO HD3 3.622 . 5.261 4.482 4.450 4.523 . 0 0 "[ . 1 . 2]" 1
1196 1 65 CYS HB3 1 80 LEU H 3.534 . 5.095 3.085 2.953 3.410 . 0 0 "[ . 1 . 2]" 1
1197 1 65 CYS HB2 1 80 LEU H 3.635 . 5.287 4.516 4.357 4.805 . 0 0 "[ . 1 . 2]" 1
1198 1 64 VAL HB 1 80 LEU H 2.970 . 4.073 3.504 3.219 3.646 . 0 0 "[ . 1 . 2]" 1
1199 1 80 LEU H 1 80 LEU MD2 3.371 . 4.792 3.648 3.555 3.756 . 0 0 "[ . 1 . 2]" 1
1200 1 64 VAL MG2 1 80 LEU H 3.458 . 4.953 4.845 4.557 4.978 0.025 13 0 "[ . 1 . 2]" 1
1201 1 64 VAL MG1 1 80 LEU H 3.353 . 4.758 4.257 4.087 4.383 . 0 0 "[ . 1 . 2]" 1
1202 1 80 LEU H 1 80 LEU HA 2.848 . 3.862 2.939 2.928 2.946 . 0 0 "[ . 1 . 2]" 1
1203 1 65 CYS H 1 80 LEU H 2.694 . 3.601 2.398 2.083 2.575 . 0 0 "[ . 1 . 2]" 1
1204 1 5 GLN H 1 5 GLN HG2 2.974 . 4.080 3.267 2.141 4.604 0.524 1 1 "[+ . 1 . 2]" 1
1205 1 5 GLN H 1 5 GLN HB3 3.114 . 4.326 3.381 2.344 3.703 . 0 0 "[ . 1 . 2]" 1
1206 1 5 GLN H 1 5 GLN HB2 2.661 . 3.546 2.560 2.305 3.661 0.115 12 0 "[ . 1 . 2]" 1
1207 1 5 GLN H 1 11 ILE MD 3.734 . 5.477 3.666 2.591 4.757 . 0 0 "[ . 1 . 2]" 1
1208 1 4 GLY H 1 5 GLN H 3.092 . 4.287 3.606 1.977 4.401 0.114 9 0 "[ . 1 . 2]" 1
1209 1 20 GLY HA2 1 26 THR H 3.830 . 5.664 4.332 4.154 4.587 . 0 0 "[ . 1 . 2]" 1
1210 1 26 THR H 1 28 LEU MD2 3.740 . 5.489 5.627 5.596 5.650 0.161 10 0 "[ . 1 . 2]" 1
1211 1 22 SER HB3 1 26 THR H 2.930 . 4.003 3.643 3.511 3.769 . 0 0 "[ . 1 . 2]" 1
1212 1 26 THR H 1 26 THR HA 2.379 . 3.087 2.834 2.825 2.843 . 0 0 "[ . 1 . 2]" 1
1213 1 18 VAL MG2 1 26 THR H 3.803 . 5.611 4.724 4.663 4.804 . 0 0 "[ . 1 . 2]" 1
1214 1 25 GLY H 1 26 THR H 2.521 . 3.316 2.821 2.788 2.854 . 0 0 "[ . 1 . 2]" 1
1215 1 22 SER HB2 1 23 ASP H 2.779 . 3.744 3.830 3.800 3.866 0.122 13 0 "[ . 1 . 2]" 1
1216 1 23 ASP H 1 23 ASP HA 2.985 . 4.098 2.787 2.764 2.809 . 0 0 "[ . 1 . 2]" 1
1217 1 23 ASP H 1 23 ASP HB2 2.800 . 3.780 2.376 2.214 2.537 . 0 0 "[ . 1 . 2]" 1
1218 1 72 SER HA 1 73 GLY H 2.498 . 3.278 3.235 3.138 3.313 0.035 2 0 "[ . 1 . 2]" 1
1219 1 73 GLY H 1 73 GLY HA3 2.604 . 3.451 2.947 2.942 2.951 . 0 0 "[ . 1 . 2]" 1
1220 1 73 GLY H 1 73 GLY HA2 2.450 . 3.200 2.505 2.439 2.516 . 0 0 "[ . 1 . 2]" 1
1221 1 73 GLY H 1 74 VAL MG2 3.890 . 5.781 4.644 4.508 4.786 . 0 0 "[ . 1 . 2]" 1
1222 1 16 ASN QB 1 16 ASN HD22 3.367 . 4.659 3.200 3.161 3.210 . 0 0 "[ . 1 . 2]" 1
1223 1 16 ASN HD22 1 18 VAL MG1 3.321 . 4.699 3.996 3.579 4.758 0.059 20 0 "[ . 1 . 2]" 1
1224 1 10 SER H 1 66 CYS HB2 3.785 . 5.576 4.317 3.529 5.091 . 0 0 "[ . 1 . 2]" 1
1225 1 10 SER H 1 67 SER HA 3.558 . 5.140 3.707 3.360 4.614 . 0 0 "[ . 1 . 2]" 1
1226 1 9 GLY HA3 1 10 SER H 2.370 . 3.072 2.236 2.111 2.579 . 0 0 "[ . 1 . 2]" 1
1227 1 9 GLY H 1 10 SER H 3.341 . 4.737 4.089 3.479 4.470 . 0 0 "[ . 1 . 2]" 1
1228 1 10 SER H 1 66 CYS H 2.928 . 4.000 3.545 3.237 4.027 0.027 20 0 "[ . 1 . 2]" 1
1229 1 20 GLY HA2 1 21 ASP H 3.101 . 4.303 3.453 3.392 3.502 . 0 0 "[ . 1 . 2]" 1
1230 1 21 ASP H 1 21 ASP HB3 3.007 . 4.137 2.668 2.400 2.849 . 0 0 "[ . 1 . 2]" 1
1231 1 21 ASP H 1 21 ASP HB2 2.648 . 3.524 3.367 2.719 3.712 0.188 1 0 "[ . 1 . 2]" 1
1232 1 19 PRO HB2 1 21 ASP H 2.815 . 3.806 3.049 2.899 3.218 . 0 0 "[ . 1 . 2]" 1
1233 1 21 ASP H 1 43 ILE MD 3.780 . 5.566 5.157 5.030 5.238 . 0 0 "[ . 1 . 2]" 1
1234 1 21 ASP H 1 29 LEU MD2 3.930 . 5.861 4.782 4.628 5.056 . 0 0 "[ . 1 . 2]" 1
1235 1 21 ASP H 1 22 SER H 2.472 . 3.236 2.326 2.215 2.434 . 0 0 "[ . 1 . 2]" 1
1236 1 20 GLY H 1 21 ASP H 2.677 . 3.573 2.620 2.564 2.708 . 0 0 "[ . 1 . 2]" 1
1237 1 67 SER HA 1 68 ASP H 2.516 . 3.307 3.404 3.361 3.486 0.179 16 0 "[ . 1 . 2]" 1
1238 1 67 SER QB 1 68 ASP H 2.840 . 3.848 3.008 2.718 3.173 . 0 0 "[ . 1 . 2]" 1
1239 1 68 ASP H 1 68 ASP HB3 2.635 . 3.503 2.972 2.531 3.701 0.198 8 0 "[ . 1 . 2]" 1
1240 1 68 ASP H 1 77 ILE H 3.282 . 4.628 4.318 4.019 4.508 . 0 0 "[ . 1 . 2]" 1
1241 1 58 ALA MB 1 59 CYS H 2.700 . 3.611 3.201 2.764 3.527 . 0 0 "[ . 1 . 2]" 1
1242 1 59 CYS H 1 59 CYS HA 2.791 . 3.765 2.898 2.832 2.937 . 0 0 "[ . 1 . 2]" 1
1243 1 57 ASP H 1 58 ALA H 2.546 . 3.357 3.103 2.456 3.475 0.118 8 0 "[ . 1 . 2]" 1
1244 1 10 SER HA 1 11 ILE H 2.274 . 2.920 2.307 2.224 2.349 . 0 0 "[ . 1 . 2]" 1
1245 1 17 VAL H 1 18 VAL MG1 2.861 . 3.884 3.553 3.156 3.742 . 0 0 "[ . 1 . 2]" 1
1246 1 16 ASN H 1 17 VAL H 3.612 . 5.243 4.031 3.838 4.398 . 0 0 "[ . 1 . 2]" 1
1247 1 12 GLN HA 1 13 CYS H 2.454 . 3.206 2.390 2.336 2.456 . 0 0 "[ . 1 . 2]" 1
1248 1 45 ASP H 1 46 GLY H 3.617 . 5.253 4.573 4.517 4.607 . 0 0 "[ . 1 . 2]" 1
1249 1 46 GLY H 1 76 ALA H 3.619 . 5.256 5.300 5.180 5.343 0.087 6 0 "[ . 1 . 2]" 1
1250 1 52 VAL MG2 1 53 ALA H 2.741 . 3.680 2.310 1.898 2.777 . 0 0 "[ . 1 . 2]" 1
1251 1 58 ALA H 1 59 CYS H 2.600 . 3.445 2.371 1.777 2.722 . 0 0 "[ . 1 . 2]" 1
1252 1 68 ASP HA 1 69 ASN H 2.402 . 3.123 2.282 2.150 2.428 . 0 0 "[ . 1 . 2]" 1
1253 1 70 ASN H 1 70 ASN HA 2.854 . 3.872 2.891 2.831 2.929 . 0 0 "[ . 1 . 2]" 1
1254 1 70 ASN HA 1 71 VAL H 3.091 . 4.285 2.325 2.088 2.532 . 0 0 "[ . 1 . 2]" 1
1255 1 71 VAL HB 1 72 SER H 3.032 . 4.181 2.951 2.394 4.137 . 0 0 "[ . 1 . 2]" 1
1256 1 5 GLN HB3 1 6 CYS H 3.440 . 4.919 3.634 3.083 4.449 . 0 0 "[ . 1 . 2]" 1
1257 1 5 GLN H 1 6 CYS H 3.215 . 4.507 4.385 4.219 4.551 0.044 14 0 "[ . 1 . 2]" 1
1258 1 66 CYS HB3 1 68 ASP H 3.458 . 4.953 2.771 2.484 3.711 . 0 0 "[ . 1 . 2]" 1
1259 1 68 ASP H 1 68 ASP HB2 2.817 . 3.809 2.667 2.347 2.931 . 0 0 "[ . 1 . 2]" 1
1260 1 66 CYS HB2 1 68 ASP H 3.685 . 5.383 4.295 3.945 5.056 . 0 0 "[ . 1 . 2]" 1
1261 1 68 ASP H 1 68 ASP HA 2.930 . 4.003 2.937 2.914 2.946 . 0 0 "[ . 1 . 2]" 1
1262 1 42 LEU MD2 1 79 CYS H 3.699 . 5.409 5.355 5.238 5.444 0.035 6 0 "[ . 1 . 2]" 1
1263 1 3 TRP H 1 3 TRP HD1 3.698 . 5.408 3.968 2.557 5.364 . 0 0 "[ . 1 . 2]" 1
1264 1 3 TRP H 1 3 TRP HB3 3.155 . 4.400 3.595 2.578 4.134 . 0 0 "[ . 1 . 2]" 1
1265 1 3 TRP HA 1 4 GLY H 3.009 . 4.141 2.890 2.135 3.576 . 0 0 "[ . 1 . 2]" 1
1266 1 10 SER H 1 10 SER HA 2.928 . 4.000 2.926 2.880 2.949 . 0 0 "[ . 1 . 2]" 1
1267 1 41 VAL H 1 42 LEU H 3.516 . 5.061 4.570 4.514 4.614 . 0 0 "[ . 1 . 2]" 1
1268 1 61 ALA H 1 61 ALA HA 2.698 . 3.608 2.918 2.857 2.945 . 0 0 "[ . 1 . 2]" 1
1269 1 12 GLN HA 1 50 ILE H 3.008 . 4.139 1.978 1.848 2.224 0.029 13 0 "[ . 1 . 2]" 1
1270 1 44 GLY H 1 78 GLY H 3.950 . 5.900 4.879 4.495 5.130 . 0 0 "[ . 1 . 2]" 1
1271 1 42 LEU H 1 78 GLY H 3.706 . 5.423 4.021 3.866 4.250 . 0 0 "[ . 1 . 2]" 1
1272 1 63 ALA H 1 64 VAL H 3.749 . 5.506 4.510 4.450 4.558 . 0 0 "[ . 1 . 2]" 1
1273 1 63 ALA H 1 82 VAL H 3.919 . 5.839 4.565 4.304 4.755 . 0 0 "[ . 1 . 2]" 1
1274 1 34 ILE H 1 35 VAL H 3.434 . 4.908 4.508 4.413 4.564 . 0 0 "[ . 1 . 2]" 1
1275 1 25 GLY H 1 27 LEU H 3.905 . 5.811 4.384 4.243 4.499 . 0 0 "[ . 1 . 2]" 1
1276 1 19 PRO HA 1 20 GLY H 2.381 . 3.089 2.189 2.177 2.204 . 0 0 "[ . 1 . 2]" 1
1277 1 20 GLY H 1 42 LEU HA 2.814 . 3.803 3.120 2.942 3.315 . 0 0 "[ . 1 . 2]" 1
1278 1 26 THR H 1 29 LEU H 3.626 . 5.269 4.717 4.636 4.781 . 0 0 "[ . 1 . 2]" 1
1279 1 11 ILE HA 1 66 CYS H 3.498 . 5.028 3.339 3.016 3.540 . 0 0 "[ . 1 . 2]" 1
1280 1 61 ALA HA 1 62 THR H 3.089 . 4.282 3.531 3.012 3.582 . 0 0 "[ . 1 . 2]" 1
1281 1 11 ILE HA 1 12 GLN H 2.254 . 2.889 2.104 2.062 2.181 . 0 0 "[ . 1 . 2]" 1
1282 1 12 GLN H 1 63 ALA HA 3.854 . 5.711 4.872 4.634 5.236 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 8.572
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0214
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.268 0.041 6 0 "[ . 1 . 2]"
1 14 CYS 0.008 0.008 13 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.145 0.038 7 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.145 0.038 7 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.003 0.003 4 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.268 0.041 6 0 "[ . 1 . 2]"
1 62 THR 0.008 0.008 13 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 CYS 0.005 0.005 7 0 "[ . 1 . 2]"
1 76 ALA 0.003 0.003 4 0 "[ . 1 . 2]"
1 80 LEU 0.005 0.005 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 GLY O 1 29 LEU H 2.200 . 2.700 1.935 1.880 1.995 . 0 0 "[ . 1 . 2]" 2
2 1 25 GLY O 1 29 LEU N 3.200 2.516 3.927 2.888 2.832 2.928 . 0 0 "[ . 1 . 2]" 2
3 1 27 LEU O 1 31 GLU H 2.200 . 2.700 2.306 2.053 2.515 . 0 0 "[ . 1 . 2]" 2
4 1 27 LEU O 1 31 GLU N 3.200 2.516 3.927 3.112 2.858 3.329 . 0 0 "[ . 1 . 2]" 2
5 1 24 LEU O 1 28 LEU H 2.200 . 2.700 1.901 1.816 1.995 . 0 0 "[ . 1 . 2]" 2
6 1 24 LEU O 1 28 LEU N 3.200 2.516 3.927 2.801 2.708 2.893 . 0 0 "[ . 1 . 2]" 2
7 1 16 ASN O 1 45 ASP H 2.200 . 2.700 2.021 1.883 2.694 . 0 0 "[ . 1 . 2]" 2
8 1 16 ASN O 1 45 ASP N 3.200 2.516 3.927 2.785 2.709 3.195 . 0 0 "[ . 1 . 2]" 2
9 1 44 GLY O 1 76 ALA H 2.200 . 2.700 2.251 1.830 2.399 . 0 0 "[ . 1 . 2]" 2
10 1 44 GLY O 1 76 ALA N 3.200 2.516 3.927 2.787 2.679 2.880 . 0 0 "[ . 1 . 2]" 2
11 1 18 VAL H 1 43 ILE O 2.200 . 2.700 1.989 1.854 2.103 . 0 0 "[ . 1 . 2]" 2
12 1 18 VAL N 1 43 ILE O 3.200 2.516 3.927 2.964 2.827 3.075 . 0 0 "[ . 1 . 2]" 2
13 1 12 GLN H 1 64 VAL O 2.200 . 2.700 1.972 1.811 2.259 . 0 0 "[ . 1 . 2]" 2
14 1 12 GLN N 1 64 VAL O 3.200 2.516 3.927 2.936 2.754 3.238 . 0 0 "[ . 1 . 2]" 2
15 1 12 GLN O 1 64 VAL H 2.200 . 2.700 1.895 1.811 2.044 . 0 0 "[ . 1 . 2]" 2
16 1 12 GLN O 1 64 VAL N 3.200 2.516 3.927 2.848 2.774 2.982 . 0 0 "[ . 1 . 2]" 2
17 1 14 CYS O 1 62 THR H 2.200 . 2.700 2.312 2.048 2.708 0.008 13 0 "[ . 1 . 2]" 2
18 1 14 CYS O 1 62 THR N 3.200 2.516 3.927 3.021 2.858 3.188 . 0 0 "[ . 1 . 2]" 2
19 1 65 CYS O 1 80 LEU H 2.200 . 2.700 1.859 1.776 1.979 . 0 0 "[ . 1 . 2]" 2
20 1 65 CYS O 1 80 LEU N 3.200 2.516 3.927 2.800 2.740 2.871 . 0 0 "[ . 1 . 2]" 2
21 1 65 CYS H 1 80 LEU O 2.200 . 2.700 1.920 1.725 2.063 0.005 7 0 "[ . 1 . 2]" 2
22 1 65 CYS N 1 80 LEU O 3.200 2.516 3.927 2.748 2.677 2.830 . 0 0 "[ . 1 . 2]" 2
23 1 44 GLY H 1 76 ALA O 2.200 . 2.700 1.780 1.727 1.861 0.003 4 0 "[ . 1 . 2]" 2
24 1 44 GLY N 1 76 ALA O 3.200 2.516 3.927 2.726 2.672 2.798 . 0 0 "[ . 1 . 2]" 2
25 1 18 VAL O 1 43 ILE H 2.200 . 2.700 1.858 1.808 1.918 . 0 0 "[ . 1 . 2]" 2
26 1 18 VAL O 1 43 ILE N 3.200 2.516 3.927 2.762 2.720 2.814 . 0 0 "[ . 1 . 2]" 2
27 1 13 CYS O 1 48 ASP H 2.200 . 2.700 2.098 1.917 2.283 . 0 0 "[ . 1 . 2]" 2
28 1 13 CYS H 1 48 ASP O 2.200 . 2.700 1.733 1.689 1.852 0.041 6 0 "[ . 1 . 2]" 2
29 1 13 CYS O 1 48 ASP N 3.200 2.516 3.927 3.001 2.837 3.172 . 0 0 "[ . 1 . 2]" 2
30 1 13 CYS N 1 48 ASP O 3.200 2.516 3.927 2.703 2.624 2.825 . 0 0 "[ . 1 . 2]" 2
31 1 28 LEU O 1 32 LEU H 2.200 . 2.700 2.502 1.949 2.738 0.038 7 0 "[ . 1 . 2]" 2
32 1 28 LEU O 1 32 LEU N 3.200 2.516 3.927 3.150 2.877 3.344 . 0 0 "[ . 1 . 2]" 2
33 1 29 LEU O 1 34 ILE H 2.200 . 2.700 1.974 1.882 2.109 . 0 0 "[ . 1 . 2]" 2
34 1 29 LEU O 1 34 ILE N 3.200 2.516 3.927 2.943 2.859 3.041 . 0 0 "[ . 1 . 2]" 2
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